N-(2-chloroacetyl)-3-nitrobenzamide
TL;DR: N-(2-chloroacetyl)-3-nitrobenzamide (CAS 568555-83-9) is a chemical compound with molecular formula C9H7ClN2O4 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroacetyl)-3-nitrobenzamide
Also Known As: N-(2-chloroacetyl)-3-nitrobenzamide, N-(2-Chloro-acetyl)-3-nitro-benzamide, N-(Chloroacetyl)-3-nitrobenzamide, 2-chloro-N-(3-nitrobenzoyl)acetamide, N-(2-chloroacetyl)-3-nitro-benzamide
| Molecular Formula | C9H7ClN2O4 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 1.09 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.00943 |
| Heavy Atoms | 16 |
| Complexity | 446.89005 |
Chemical Identifiers
| CAS Number | 568555-83-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=O)CCl |
Product Overview
N-(2-chloroacetyl)-3-nitrobenzamide (CAS 568555-83-9), with molecular formula C9H7ClN2O4 and molecular weight 242.01 g/mol. IUPAC: N-(2-chloroacetyl)-3-nitrobenzamide.
Chemical Property Profile of N-(2-chloroacetyl)-3-nitrobenzamide
Property Insights of N-(2-chloroacetyl)-3-nitrobenzamide
The XLogP value of 1.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloroacetyl)-3-nitrobenzamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloroacetyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-chloroacetyl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 4 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-chloroacetyl)-3-nitrobenzamide?
The CAS number of N-(2-chloroacetyl)-3-nitrobenzamide is 568555-83-9.
What is the molecular formula of N-(2-chloroacetyl)-3-nitrobenzamide?
The molecular formula of N-(2-chloroacetyl)-3-nitrobenzamide is C9H7ClN2O4.
What is the molecular weight of N-(2-chloroacetyl)-3-nitrobenzamide?
The molecular weight of N-(2-chloroacetyl)-3-nitrobenzamide is 242.01 g/mol.
Where can I buy N-(2-chloroacetyl)-3-nitrobenzamide?
You can request a quote for N-(2-chloroacetyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloroacetyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroacetyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.