Basic information
- Standard SMILES
CC(C)(C)CCNC(=O)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F- InChIKey
UBXLUQJENJXEJG-UHFFFAOYSA-N- Molecular formula
- C18H20ClF3N4O
- Average molar mass
- 400.8 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chlorophenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,3-dimethylbutyl)-amide
- IUPAC
- 2-(3-chloroanilino)-N-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Names & synonyms
2-(3-Chlorophenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,3-dimethylbutyl)-amideSCHEMBL135033122-(3-Chlorophenylamino)-trifluoromethyl-pyrimidine-5-carboxylic acid (3,3-dimethylbutyl)-amide
Database identifiers
- PubChem CID
- 10023957
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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