N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
TL;DR: N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide (CAS 154563-44-7) is a chemical compound with molecular formula C12H6ClF4N3O and molecular weight 319.01355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Also Known As: N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide, 2-chloro-N-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide, N5-(3-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
Technical Specifications
| Molecular Formula | C12H6ClF4N3O |
| Molecular Weight | 319.01355 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 54.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.01355 Da |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
| SMILES | C1=CC(=CC=C1NC(=O)C2=CN=C(N=C2C(F)(F)F)Cl)F |
| InChIKey | VMPYLRWKKPLZGT-UHFFFAOYSA-N |
Chemical Property Profile of N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
Property Insights of N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
The XLogP value of 3.0 indicates that N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.9 Ų, N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The CAS number of N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide is 154563-44-7.
What is the molecular formula of N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The molecular formula of N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide is C12H6ClF4N3O.
What is the molecular weight of N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The molecular weight of N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide is 319.01355 g/mol.
Where can I buy N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide?
You can request a quote for N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.