N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide
TL;DR: N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide (CAS 13852-50-1) 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.
N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
Also Known As: N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide, Acetamide, N-(5-chloro-2-methyl-4-nitrophenyl)-, 4-Chlor-5-nitro-2-acetamino-toluol, o-Acetotoluidide, 5'-chloro-4'-nitro-, Toluene, 2-acetamido-4-chloro-5-nitro-
| Molecular Formula | C9H9ClN2O3 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.03017 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 13852-50-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1NC(=O)C)Cl)[N+](=O)[O-] |
| InChIKey | URLGXKCNSXNVOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide (CAS 13852-50-1), with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol. IUPAC: N-(5-chloro-2-methyl-4-nitrophenyl)acetamide.
Chemical Property Profile of N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide
Property Insights of N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, N-(5-Chloro-2-methyl-4-nitrophenyl)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 N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide?
The CAS number of N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide is 13852-50-1.
What is the molecular formula of N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide?
The molecular formula of N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide is C9H9ClN2O3.
What is the molecular weight of N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide?
The molecular weight of N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide is 228.03 g/mol.
Where can I buy N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide?
You can request a quote for N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.