Basic information
- Standard SMILES
O=C(NCCc1ccccc1CO)c1ccc(C(F)(F)F)cc1- InChIKey
BYYLRXIQHXIISZ-UHFFFAOYSA-N- Molecular formula
- C17H16F3NO2
- Average molar mass
- 323.31 g/mol
- Monoisotopic mass
- 323.11331324
Names & identifiers
- Preferred name
- 1-(4-Trifluoromethylbenzoyl)amino-2-(2-hydroxymethylphenyl)ethane
- IUPAC
- N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
Names & synonyms
1-(4-trifluoromethylbenzoyl)amino-2-(2-hydroxymethylphenyl)ethaneSCHEMBL11262699
Database identifiers
- PubChem CID
- 20533940
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
2 records
Compound notes
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