Basic information
- Standard SMILES
CC(NC(=O)C=Cc1cccc(Cl)c1)c1cccc(NCc2cccnc2)c1- InChIKey
JIVOCCNUKFBTOR-UHFFFAOYSA-N- Molecular formula
- C23H22ClN3O
- Average molar mass
- 391.9 g/mol
Names & identifiers
- Preferred name
- 3-(3-chlorophenyl)-N-[1-[3-(pyridin-3-ylmethylamino)phenyl]ethyl]prop-2-enamide
- IUPAC
- 3-(3-chlorophenyl)-N-[1-[3-(pyridin-3-ylmethylamino)phenyl]ethyl]prop-2-enamide
Names & synonyms
SCHEMBL6486604
Database identifiers
- PubChem CID
- 69797248
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 512
Related reactions
1 records
Compound notes
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