TL;DR: 1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(pyridine-4-carbonylamino)urea (CAS 1022565-22-5) is a chemical compound with molecular formula C14H10ClF3N4O2 and molecular weight 358.04443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(pyridine-4-carbonylamino)urea
Also Known As: 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(pyridine-4-carbonylamino)urea, N-(6-CHLORO-2-(TRIFLUOROMETHYL)PHENYL)((4-PYRIDYLCARBONYLAMINO)AMINO)FORMAMIDE, N-({[2-chloro-6-(trifluoromethyl)phenyl]carbamoyl}amino)pyridine-4-carboxamide
| Molecular Formula | C14H10ClF3N4O2 |
| Molecular Weight | 358.04443 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.04443 Da |
| Heavy Atoms | 24 |
| Complexity | 458.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)NC(=O)NNC(=O)C2=CC=NC=C2)C(F)(F)F |
| InChIKey | OAYZDEIIWNGMRD-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(pyridine-4-carbonylamino)urea. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(pyridine-4-carbonylamino)urea. Following Lipinski's Rule of Five, 1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(pyridine-4-carbonylamino)urea has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(pyridine-4-carbonylamino)urea is 1022565-22-5.
The molecular formula of 1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(pyridine-4-carbonylamino)urea is C14H10ClF3N4O2.
The molecular weight of 1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(pyridine-4-carbonylamino)urea is 358.04443 g/mol.
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