2-Chloro-n-(4-nitrobenzyl)acetamide
TL;DR: 2-Chloro-n-(4-nitrobenzyl)acetamide (CAS 38734-05-3) is a chemical compound with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(4-nitrophenyl)methyl]acetamide
Also Known As: 2-chloro-n-(4-nitrobenzyl)acetamide, 2-chloro-N-[(4-nitrophenyl)methyl]acetamide, 2-Chloro-N-(4-nitro-benzyl)-acetamide, C-Chlor-N-(4-nitro-benzyl)-acetamid, Acetamide, 2-chloro-N-(p-nitrobenzyl)-
| Molecular Formula | C9H9ClN2O3 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.03017 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 38734-05-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CCl)[N+](=O)[O-] |
| InChIKey | VFBUDPDUPLYXIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-n-(4-nitrobenzyl)acetamide (CAS 38734-05-3), with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol. IUPAC: 2-chloro-N-[(4-nitrophenyl)methyl]acetamide.
Chemical Property Profile of 2-Chloro-n-(4-nitrobenzyl)acetamide
Property Insights of 2-Chloro-n-(4-nitrobenzyl)acetamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-n-(4-nitrobenzyl)acetamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-n-(4-nitrobenzyl)acetamide. Following Lipinski's Rule of Five, 2-Chloro-n-(4-nitrobenzyl)acetamide has 1 hydrogen bond donor(s) and 3 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-Chloro-n-(4-nitrobenzyl)acetamide?
The CAS number of 2-Chloro-n-(4-nitrobenzyl)acetamide is 38734-05-3.
What is the molecular formula of 2-Chloro-n-(4-nitrobenzyl)acetamide?
The molecular formula of 2-Chloro-n-(4-nitrobenzyl)acetamide is C9H9ClN2O3.
What is the molecular weight of 2-Chloro-n-(4-nitrobenzyl)acetamide?
The molecular weight of 2-Chloro-n-(4-nitrobenzyl)acetamide is 228.03 g/mol.
Where can I buy 2-Chloro-n-(4-nitrobenzyl)acetamide?
You can request a quote for 2-Chloro-n-(4-nitrobenzyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-n-(4-nitrobenzyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-n-(4-nitrobenzyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.