Basic information
- Standard SMILES
Cc1ccc(C#Cc2ccnc(Cl)n2)cc1NC(=O)C(F)(F)F- InChIKey
JXEZVCFKOJHKLJ-UHFFFAOYSA-N- Molecular formula
- C15H9ClF3N3O
- Average molar mass
- 339.7 g/mol
Names & identifiers
- Preferred name
- N-{5-[(2-Chloro-4-pyrimidinyl)ethynyl]-2-methylphenyl}-2,2,2-trifluoroacetamide
- IUPAC
- N-[5-[2-(2-chloropyrimidin-4-yl)ethynyl]-2-methylphenyl]-2,2,2-trifluoroacetamide
Names & synonyms
N-{5-[(2-Chloro-4-pyrimidinyl)ethynyl]-2-methylphenyl}-2,2,2-trifluoroacetamideSCHEMBL3541726
Database identifiers
- PubChem CID
- 57737211
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 499
Related reactions
3 records
Compound notes
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