N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide
TL;DR: N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide (CAS 196812-97-2) is a chemical compound with molecular formula C13H8ClFN2O3 and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide
Also Known As: N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide, 2'-CHLORO-4-FLUORO-5'-NITROBENZANILIDE, N-(2-chloro-5-nitrophenyl)(4-fluorophenyl)carboxamide
| Molecular Formula | C13H8ClFN2O3 |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.02075 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 196812-97-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)F |
| InChIKey | RFXVSMYLVXVXGF-UHFFFAOYSA-N |
Product Overview
N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide (CAS 196812-97-2), with molecular formula C13H8ClFN2O3 and molecular weight 294.02 g/mol. IUPAC: N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide.
Chemical Property Profile of N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide
Property Insights of N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide
The XLogP value of 3.1 indicates that N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide 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-chloro-5-nitrophenyl)-4-fluorobenzamide?
The CAS number of N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide is 196812-97-2.
What is the molecular formula of N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide?
The molecular formula of N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide is C13H8ClFN2O3.
What is the molecular weight of N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide?
The molecular weight of N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide is 294.02 g/mol.
Where can I buy N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide?
You can request a quote for N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-5-nitrophenyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.