Basic information
- Standard SMILES
O=C(/C=C/c1ccc(CN(CCO)C2CCCCC2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1- InChIKey
MCCQJPOMQXAOGX-VXLYETTFSA-N- Molecular formula
- C30H33ClN2O2
- Average molar mass
- 489 g/mol
- Monoisotopic mass
- 488.223056
Names & identifiers
- Preferred name
- (E)-N-(4'-chlorobiphenyl-4-yl)-3-(4-{[cyclohexyl-(2-hydroxyethyl)amino]methyl}phenyl)acrylamide
- IUPAC
- (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]phenyl]prop-2-enamide
Names & synonyms
SCHEMBL3861130MCCQJPOMQXAOGX-VXLYETTFSA-N(E)-N-(4'-chlorobiphenyl-4-yl)-3-(4-{[cyclohexyl-(2-hydroxyethyl)amino]methyl}phenyl)acrylamide
Database identifiers
- PubChem CID
- 57845786
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 641
Related reactions
1 records
Compound notes
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