4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide
TL;DR: 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide (CAS 53828-13-0) is a chemical compound with molecular formula C10H5Cl3N2O and molecular weight 273.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide
Also Known As: 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide, Benzamide, 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)-, 2-(4-chloro-benzoylamino)-3,3-dichloro-acrylonitrile, 4-Chloro-N-(2,2-dichloro-1-cyanoethen-1-yl)benzamide, 4-chloro-N-(2,2-dichloro-1-cyanoeth-1-en-1-yl)benzamide
| Molecular Formula | C10H5Cl3N2O |
|---|---|
| Molecular Weight | 273.95 g/mol |
| LogP | 3.24008 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.94675 |
| Heavy Atoms | 16 |
| Complexity | 469.83267 |
Chemical Identifiers
| CAS Number | 53828-13-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=C(Cl)Cl)C#N)Cl |
Product Overview
4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide (CAS 53828-13-0), with molecular formula C10H5Cl3N2O and molecular weight 273.95 g/mol. IUPAC: 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide.
Chemical Property Profile of 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide
Property Insights of 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide
The XLogP value of 3.24008 indicates that 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)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 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide?
The CAS number of 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide is 53828-13-0.
What is the molecular formula of 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide?
The molecular formula of 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide is C10H5Cl3N2O.
What is the molecular weight of 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide?
The molecular weight of 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide is 273.95 g/mol.
Where can I buy 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide?
You can request a quote for 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.