N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide
TL;DR: N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide (CAS 338408-52-9) is a chemical compound with molecular formula C15H10ClF3N2O3 and molecular weight 358.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2-nitro-4-(trifluoromethyl)benzamide
Also Known As: 3G-440S, N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide, N-[(4-chlorophenyl)methyl]-2-nitro-4-(trifluoromethyl)benzamide, N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzamide
| Molecular Formula | C15H10ClF3N2O3 |
|---|---|
| Molecular Weight | 358.03 g/mol |
| LogP | 4.197 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.0332 |
| Heavy Atoms | 24 |
| Complexity | 776.524 |
Chemical Identifiers
| CAS Number | 338408-52-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl |
Product Overview
N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide (CAS 338408-52-9), with molecular formula C15H10ClF3N2O3 and molecular weight 358.03 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-nitro-4-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide
Property Insights of N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide
The XLogP value of 4.197 indicates that N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide 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 N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide 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-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide?
The CAS number of N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide is 338408-52-9.
What is the molecular formula of N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide?
The molecular formula of N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide is C15H10ClF3N2O3.
What is the molecular weight of N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide?
The molecular weight of N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide is 358.03 g/mol.
Where can I buy N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide?
You can request a quote for N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.