2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide
TL;DR: 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide (CAS 418775-52-7) is a chemical compound with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-nitro-N-(2-propan-2-ylphenyl)benzamide
Also Known As: 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide, 2-chloro-4-nitro-N-(2-propan-2-ylphenyl)benzamide, 2-chloro-4-nitro-N-[2-(propan-2-yl)phenyl]benzamide, (2-chloro-4-nitrophenyl)-N-[2-(methylethyl)phenyl]carboxamide, 646-350-3
| Molecular Formula | C16H15ClN2O3 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 4.6239 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.07712 |
| Heavy Atoms | 22 |
| Complexity | 729.0809 |
Chemical Identifiers
| CAS Number | 418775-52-7 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide (CAS 418775-52-7), with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol. IUPAC: 2-chloro-4-nitro-N-(2-propan-2-ylphenyl)benzamide.
Chemical Property Profile of 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide
Property Insights of 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide
The XLogP value of 4.6239 indicates that 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide 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-(2-isopropylphenyl)-4-nitrobenzamide?
The CAS number of 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide is 418775-52-7.
What is the molecular formula of 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide?
The molecular formula of 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide is C16H15ClN2O3.
What is the molecular weight of 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide?
The molecular weight of 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide is 318.08 g/mol.
Where can I buy 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide?
You can request a quote for 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide 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-(2-isopropylphenyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-(2-isopropylphenyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.