N-(2-chlorophenyl)-2-cyanoacetamide
TL;DR: N-(2-chlorophenyl)-2-cyanoacetamide (CAS 840481-82-5) is a chemical compound with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-2-cyanoacetamide
Also Known As: N-(2-chlorophenyl)-2-cyanoacetamide, n-(2-chloro-phenyl)-2-cyano-acetamide, 3-Bromo-2-fluorobenzonitrile, 2'-chloro-2-cyanoacetanilide, 2-Cyano-N-(2-chlorophenyl)-acetamide
| Molecular Formula | C9H7ClN2O |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.02469 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 840481-82-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CC#N)Cl |
| InChIKey | QNLTWNKEBOCLPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-chlorophenyl)-2-cyanoacetamide (CAS 840481-82-5), with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol. IUPAC: N-(2-chlorophenyl)-2-cyanoacetamide.
Chemical Property Profile of N-(2-chlorophenyl)-2-cyanoacetamide
Property Insights of N-(2-chlorophenyl)-2-cyanoacetamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chlorophenyl)-2-cyanoacetamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(2-chlorophenyl)-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-2-cyanoacetamide has 1 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 N-(2-chlorophenyl)-2-cyanoacetamide?
The CAS number of N-(2-chlorophenyl)-2-cyanoacetamide is 840481-82-5.
What is the molecular formula of N-(2-chlorophenyl)-2-cyanoacetamide?
The molecular formula of N-(2-chlorophenyl)-2-cyanoacetamide is C9H7ClN2O.
What is the molecular weight of N-(2-chlorophenyl)-2-cyanoacetamide?
The molecular weight of N-(2-chlorophenyl)-2-cyanoacetamide is 194.02 g/mol.
Where can I buy N-(2-chlorophenyl)-2-cyanoacetamide?
You can request a quote for N-(2-chlorophenyl)-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorophenyl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorophenyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.