3,4-dichloro-N-(cyanomethyl)benzamide
TL;DR: 3,4-dichloro-N-(cyanomethyl)benzamide (CAS 22198-20-5) is a chemical compound with molecular formula C9H6Cl2N2O and molecular weight 227.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-(cyanomethyl)benzamide
Also Known As: 3,4-dichloro-N-(cyanomethyl)benzamide, (3,4-dichlorophenyl)-N-(cyanomethyl)carboxamide
| Molecular Formula | C9H6Cl2N2O |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 2.24678 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.98572 |
| Heavy Atoms | 14 |
| Complexity | 398.2887 |
Chemical Identifiers
| CAS Number | 22198-20-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NCC#N)Cl)Cl |
Product Overview
3,4-dichloro-N-(cyanomethyl)benzamide (CAS 22198-20-5), with molecular formula C9H6Cl2N2O and molecular weight 227.99 g/mol. IUPAC: 3,4-dichloro-N-(cyanomethyl)benzamide.
Chemical Property Profile of 3,4-dichloro-N-(cyanomethyl)benzamide
Property Insights of 3,4-dichloro-N-(cyanomethyl)benzamide
The XLogP value of 2.24678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dichloro-N-(cyanomethyl)benzamide. With a topological polar surface area (TPSA) of 52.89 Ų, 3,4-dichloro-N-(cyanomethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-(cyanomethyl)benzamide 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 3,4-dichloro-N-(cyanomethyl)benzamide?
The CAS number of 3,4-dichloro-N-(cyanomethyl)benzamide is 22198-20-5.
What is the molecular formula of 3,4-dichloro-N-(cyanomethyl)benzamide?
The molecular formula of 3,4-dichloro-N-(cyanomethyl)benzamide is C9H6Cl2N2O.
What is the molecular weight of 3,4-dichloro-N-(cyanomethyl)benzamide?
The molecular weight of 3,4-dichloro-N-(cyanomethyl)benzamide is 227.99 g/mol.
Where can I buy 3,4-dichloro-N-(cyanomethyl)benzamide?
You can request a quote for 3,4-dichloro-N-(cyanomethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-(cyanomethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-(cyanomethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.