Basic information
- Standard SMILES
CC(C)(C#N)c1cccc(C(=O)Nc2ccc(C(F)(F)F)c(O)c2)c1- InChIKey
RDHDVKJABWSREE-UHFFFAOYSA-N- Molecular formula
- C18H15F3N2O2
- Average molar mass
- 348.3 g/mol
Names & identifiers
- Preferred name
- 3-(1-cyano-1-methylethyl)-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzamide
- IUPAC
- 3-(2-cyanopropan-2-yl)-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzamide
Names & synonyms
3-(1-cyano-1-methylethyl)-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzamideSCHEMBL2855416
Database identifiers
- PubChem CID
- 68418501
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 538
Related reactions
4 records
Compound notes
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