N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide
TL;DR: N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide (CAS 657-63-6) is a chemical compound with molecular formula C8H5ClF3NO and molecular weight 223.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]formamide
Also Known As: N-Formyl 2-chloro-5-trifluoromethylaniline, N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide, n-[2-chloro-5-(trifluoromethyl)phenyl]formamide, 4-Chloro-3-formamidobenzotrifluoride, 6-Chlor-3-trifluormethyl-formanilid
| Molecular Formula | C8H5ClF3NO |
|---|---|
| Molecular Weight | 223.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.00117 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 657-63-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC=O)Cl |
| InChIKey | XEAIJWFDADPVCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide (CAS 657-63-6), with molecular formula C8H5ClF3NO and molecular weight 223.00 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]formamide.
Chemical Property Profile of N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide
Property Insights of N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide 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-(trifluoromethyl)phenyl)formamide?
The CAS number of N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide is 657-63-6.
What is the molecular formula of N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide?
The molecular formula of N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide is C8H5ClF3NO.
What is the molecular weight of N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide?
The molecular weight of N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide is 223.00 g/mol.
Where can I buy N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide?
You can request a quote for N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide 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-(trifluoromethyl)phenyl)formamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.