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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide
TL;DR: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide (CAS 455887-86-2) is a chemical compound with molecular formula C14H8ClF3N2O3 and molecular weight 344.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide
Also Known As: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide, AA-504/32993055, N-[4-chloro-3-(trifluoromethyl)phenyl](2-nitrophenyl)carboxamide
| Molecular Formula | C14H8ClF3N2O3 |
|---|---|
| Molecular Weight | 344.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.01755 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 455887-86-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | VCPZUGGKOPRFFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide (CAS 455887-86-2), with molecular formula C14H8ClF3N2O3 and molecular weight 344.02 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide.
Chemical Property Profile of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide
Property Insights of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide
The XLogP value of 4.1 indicates that N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide 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-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide has 1 hydrogen bond donor(s) and 6 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-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide?
The CAS number of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide is 455887-86-2.
What is the molecular formula of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide?
The molecular formula of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide is C14H8ClF3N2O3.
What is the molecular weight of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide?
The molecular weight of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide is 344.02 g/mol.
Where can I buy N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide?
You can request a quote for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.