2-cyano-N-(2,5-dichlorophenyl)acetamide
TL;DR: 2-cyano-N-(2,5-dichlorophenyl)acetamide (CAS 40360-47-2) 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.
2-cyano-N-(2,5-dichlorophenyl)acetamide
Also Known As: 2-cyano-N-(2,5-dichlorophenyl)acetamide, 2-Chloro-3,5-dibromopyridine, Acetamide, 2-cyano-N-(2,5-dichlorophenyl)-, 2',5'-dichloro-2-cyanoacetanilide, 2-Cyano-N-(2,5-dichloro-phenyl)-acetamide
| Molecular Formula | C9H6Cl2N2O |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.98572 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 40360-47-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)NC(=O)CC#N)Cl |
| InChIKey | RXFUXWREALPORB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-cyano-N-(2,5-dichlorophenyl)acetamide (CAS 40360-47-2), with molecular formula C9H6Cl2N2O and molecular weight 227.99 g/mol. IUPAC: 2-cyano-N-(2,5-dichlorophenyl)acetamide.
Chemical Property Profile of 2-cyano-N-(2,5-dichlorophenyl)acetamide
Property Insights of 2-cyano-N-(2,5-dichlorophenyl)acetamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(2,5-dichlorophenyl)acetamide. With a topological polar surface area (TPSA) of 52.9 Ų, 2-cyano-N-(2,5-dichlorophenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-N-(2,5-dichlorophenyl)acetamide 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 2-cyano-N-(2,5-dichlorophenyl)acetamide?
The CAS number of 2-cyano-N-(2,5-dichlorophenyl)acetamide is 40360-47-2.
What is the molecular formula of 2-cyano-N-(2,5-dichlorophenyl)acetamide?
The molecular formula of 2-cyano-N-(2,5-dichlorophenyl)acetamide is C9H6Cl2N2O.
What is the molecular weight of 2-cyano-N-(2,5-dichlorophenyl)acetamide?
The molecular weight of 2-cyano-N-(2,5-dichlorophenyl)acetamide is 227.99 g/mol.
Where can I buy 2-cyano-N-(2,5-dichlorophenyl)acetamide?
You can request a quote for 2-cyano-N-(2,5-dichlorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(2,5-dichlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(2,5-dichlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.