3-((2-Chloroacetyl)amino)benzamide
TL;DR: 3-((2-Chloroacetyl)amino)benzamide (CAS 85126-66-5) is a chemical compound with molecular formula C9H9ClN2O2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloroacetyl)amino]benzamide
Also Known As: Benzamide, 3-[(chloroacetyl)amino]-, 3-[(2-chloroacetyl)amino]benzamide, 3-(2-CHLOROACETAMIDO)BENZAMIDE, 3-chloroacetamidobenzamide, 3-chloroacetylaminobenzamide
| Molecular Formula | C9H9ClN2O2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.03525 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 85126-66-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CCl)C(=O)N |
| InChIKey | PKERGLWCKXHITG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((2-Chloroacetyl)amino)benzamide (CAS 85126-66-5), with molecular formula C9H9ClN2O2 and molecular weight 212.04 g/mol. IUPAC: 3-[(2-chloroacetyl)amino]benzamide.
Chemical Property Profile of 3-((2-Chloroacetyl)amino)benzamide
Property Insights of 3-((2-Chloroacetyl)amino)benzamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Chloroacetyl)amino)benzamide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Chloroacetyl)amino)benzamide. Following Lipinski's Rule of Five, 3-((2-Chloroacetyl)amino)benzamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2-Chloroacetyl)amino)benzamide?
The CAS number of 3-((2-Chloroacetyl)amino)benzamide is 85126-66-5.
What is the molecular formula of 3-((2-Chloroacetyl)amino)benzamide?
The molecular formula of 3-((2-Chloroacetyl)amino)benzamide is C9H9ClN2O2.
What is the molecular weight of 3-((2-Chloroacetyl)amino)benzamide?
The molecular weight of 3-((2-Chloroacetyl)amino)benzamide is 212.04 g/mol.
Where can I buy 3-((2-Chloroacetyl)amino)benzamide?
You can request a quote for 3-((2-Chloroacetyl)amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Chloroacetyl)amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Chloroacetyl)amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.