N-Cyanomethyl-2-chlorobenzamide
TL;DR: N-Cyanomethyl-2-chlorobenzamide (CAS 22198-18-1) 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.
2-chloro-N-(cyanomethyl)benzamide
Also Known As: 2-chloro-N-(cyanomethyl)benzamide, N-Cyanomethyl-2-chlorobenzamide, benzamide, 2-chloro-n-(cyanomethyl)-
| Molecular Formula | C9H7ClN2O |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 1.59338 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.02469 |
| Heavy Atoms | 13 |
| Complexity | 356.8775 |
Chemical Identifiers
| CAS Number | 22198-18-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCC#N)Cl |
Product Overview
N-Cyanomethyl-2-chlorobenzamide (CAS 22198-18-1), with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol. IUPAC: 2-chloro-N-(cyanomethyl)benzamide.
Chemical Property Profile of N-Cyanomethyl-2-chlorobenzamide
Property Insights of N-Cyanomethyl-2-chlorobenzamide
The XLogP value of 1.59338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyanomethyl-2-chlorobenzamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-Cyanomethyl-2-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Cyanomethyl-2-chlorobenzamide 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-Cyanomethyl-2-chlorobenzamide?
The CAS number of N-Cyanomethyl-2-chlorobenzamide is 22198-18-1.
What is the molecular formula of N-Cyanomethyl-2-chlorobenzamide?
The molecular formula of N-Cyanomethyl-2-chlorobenzamide is C9H7ClN2O.
What is the molecular weight of N-Cyanomethyl-2-chlorobenzamide?
The molecular weight of N-Cyanomethyl-2-chlorobenzamide is 194.02 g/mol.
Where can I buy N-Cyanomethyl-2-chlorobenzamide?
You can request a quote for N-Cyanomethyl-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyanomethyl-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-Cyanomethyl-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.