2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
TL;DR: 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CAS 154563-42-5) is a chemical compound with molecular formula C12H7ClF3N3O and molecular weight 301.02298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
Also Known As: 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide, N5-phenyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide, 5-Pyrimidinecarboxamide,2-chloro-N-phenyl-4-(trifluoromethyl), N-Phenyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide, 2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid phenylamide
Technical Specifications
| Molecular Formula | C12H7ClF3N3O |
| Molecular Weight | 301.02298 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 54.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.02298 Da |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2C(F)(F)F)Cl |
| InChIKey | JLOWJSCEKDRUFL-UHFFFAOYSA-N |
Chemical Property Profile of 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
Property Insights of 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide. With a topological polar surface area (TPSA) of 54.9 Ų, 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide 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
What is the CAS number of 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The CAS number of 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is 154563-42-5.
What is the molecular formula of 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The molecular formula of 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is C12H7ClF3N3O.
What is the molecular weight of 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The molecular weight of 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is 301.02298 g/mol.
Where can I buy 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
You can request a quote for 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for 2-chloro-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.