Research chemical
1-[(2-chlorophenyl)methyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CAS Number: 1009499-22-2
![1-[(2-chlorophenyl)methyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide molecular structure, CAS 1009499-22-2](/structure-images/1009499-22-2.png?v=struct-v3)
Product details
Identity & specification
- Molecular formula
- C18H15Cl3N2O2
- Molecular weight
- 397.7 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
3756208
Exact Mass
396.019911
InChIKey
BFJNCCJWDKWYPI-UHFFFAOYSA-N
SMILES String
O=C(Nc1cc(Cl)cc(Cl)c1)C1CCC(=O)N1Cc1ccccc1Cl
Physical Properties
No physical property values available.
Show more physical data
XLogP
4.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
25
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
4
Ring count
3
Aromatic rings
2
Topological polar surface area
49.41 Ų
Computed LogP
4.78
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
1-[(2-chlorophenyl)methyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide (CAS 1009499-22-2) is an English MolGraph catalog reference, molecular formula C18H15Cl3N2O2 and molecular weight 397. 70 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, synthetic chemistry workflows, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: Lysosomal alpha-glucosidase (Homo sapiens) — 2 assays; Nuclear receptor ROR-gamma (Mus musculus) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Lysosomal alpha-glucosidase
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.95
Experimental evidence source: ChEMBL
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.8
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety & Handling
Handling & Storage
- Store in a well-ventilated area.
PPE
First Aid
- Do not give anything to an unconscious person.
- Rinse mouth with water.
Stability / Reactivity
- and reaction activity.
- carbon monoxide , carbon dioxide , hydrogen chloride , nitrogen oxides.
Disposal
- The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
- Contact a professional institution with a waste disposal license to handle this substance.
Show additional safety reference fields
Fire Fighting
- Wear a self-contained breathing apparatus in firefighting situations.
Accidental Release
- Do not generate dust when collecting and disposing.
- Sweep and shovel up.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for 1-[(2-chlorophenyl)methyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide (CAS 1009499-22-2)?
1-[(2-chlorophenyl)methyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide is identified by CAS 1009499-22-2, with molecular formula C18H15Cl3N2O2, molecular weight 397.7, InChIKey BFJNCCJWDKWYPI-UHFFFAOYSA-N.
Does CAS 1009499-22-2 have reported biological target evidence?
ChEMBL contains qualifying experimental assay evidence associated with Lysosomal alpha-glucosidase, Nuclear receptor ROR-gamma, Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.
Can I request a COA for CAS 1009499-22-2?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 1-[(2-chlorophenyl)methyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1009499-22-2 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.