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N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide
TL;DR: N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide (CAS 646456-08-8) is a chemical compound with molecular formula C15H7ClF6N2O3 and molecular weight 412.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide
Also Known As: N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide
| Molecular Formula | C15H7ClF6N2O3 |
|---|---|
| Molecular Weight | 412.00 g/mol |
| LogP | 5.5381 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.00494 |
| Heavy Atoms | 27 |
| Complexity | 879.1509 |
Chemical Identifiers
| CAS Number | 646456-08-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])Cl |
Product Overview
N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide (CAS 646456-08-8), with molecular formula C15H7ClF6N2O3 and molecular weight 412.00 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide.
Chemical Property Profile of N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide
Property Insights of N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide
The XLogP value of 5.5381 indicates that N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-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 N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide?
The CAS number of N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide is 646456-08-8.
What is the molecular formula of N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide?
The molecular formula of N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide is C15H7ClF6N2O3.
What is the molecular weight of N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide?
The molecular weight of N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide is 412.00 g/mol.
Where can I buy N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide?
You can request a quote for N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.