Basic information
- Standard SMILES
O=C(/C=C/c1ccc(Cc2ccncc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
ZXHUJRQEUZGSFR-VMPITWQZSA-N- Molecular formula
- C22H16ClF3N2O
- Average molar mass
- 416.8 g/mol
- Monoisotopic mass
- 416.0903253
Names & identifiers
- Preferred name
- (2E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(pyridin-4-ylmethyl)phenyl]acrylamide
- IUPAC
- (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enamide
Names & synonyms
(2E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(pyridin-4-ylmethyl)phenyl]acrylamideSCHEMBL3551571
Database identifiers
- PubChem CID
- 58674375
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Related reactions
2 records
Compound notes
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