Basic information
- Standard SMILES
COc1ccccc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1- InChIKey
DTKHEBJAUSWFCD-UHFFFAOYSA-N- Molecular formula
- C16H11F3N2O2
- Average molar mass
- 320.27 g/mol
- Monoisotopic mass
- 320.07726208
Names & identifiers
- Preferred name
- N-(4-Cyano-3-trifluoromethyl-phenyl)-2-methoxy-benzamide
- IUPAC
- N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methoxybenzamide
Names & synonyms
N-(4-Cyano-3-trifluoromethyl-phenyl)-2-methoxy-benzamideSCHEMBL2948177N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methoxybenzamide
Database identifiers
- PubChem CID
- 10245431
- Nikkaji
- J2.463.034J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Related reactions
2 records
Compound notes
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