2-Chloro-4-(trifluoromethyl)benzamide
TL;DR: 2-Chloro-4-(trifluoromethyl)benzamide (CAS 254880-52-9) 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.
2-chloro-4-(trifluoromethyl)benzamide
Also Known As: 2-Chloro-4-(trifluoromethyl)benzamide, 2-Chloro-4-trifluoromethyl-benzamide, 2-Chloro-4-trifluoromethylbenzamide, Benzamide,2-chloro-4-trifluoromethyl, Benzamide, 2-chloro-4-trifluoromethyl-
| Molecular Formula | C8H5ClF3NO |
|---|---|
| Molecular Weight | 223.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.00117 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 254880-52-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)C(=O)N |
| InChIKey | FGKMHYWFFNKDPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-(trifluoromethyl)benzamide (CAS 254880-52-9), with molecular formula C8H5ClF3NO and molecular weight 223.00 g/mol. IUPAC: 2-chloro-4-(trifluoromethyl)benzamide.
Chemical Property Profile of 2-Chloro-4-(trifluoromethyl)benzamide
Property Insights of 2-Chloro-4-(trifluoromethyl)benzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(trifluoromethyl)benzamide. With a topological polar surface area (TPSA) of 43.1 Ų, 2-Chloro-4-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(trifluoromethyl)benzamide 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 2-Chloro-4-(trifluoromethyl)benzamide?
The CAS number of 2-Chloro-4-(trifluoromethyl)benzamide is 254880-52-9.
What is the molecular formula of 2-Chloro-4-(trifluoromethyl)benzamide?
The molecular formula of 2-Chloro-4-(trifluoromethyl)benzamide is C8H5ClF3NO.
What is the molecular weight of 2-Chloro-4-(trifluoromethyl)benzamide?
The molecular weight of 2-Chloro-4-(trifluoromethyl)benzamide is 223.00 g/mol.
Where can I buy 2-Chloro-4-(trifluoromethyl)benzamide?
You can request a quote for 2-Chloro-4-(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.