(E)-3-(5-Bromo-2-methoxy-phenyl)-N-{2-[4-(4-chloro-benzoyl)-piperidin-1-yl]-ethyl}-acrylamide
Basic information
- Standard SMILES
COc1ccc(Br)cc1/C=C/C(=O)NCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1- InChIKey
NEZQRKGSXKYBEJ-RUDMXATFSA-N- Molecular formula
- C24H26BrClN2O3
- Average molar mass
- 505.8 g/mol
- Monoisotopic mass
- 504.08153
Names & identifiers
- Preferred name
- (E)-3-(5-Bromo-2-methoxy-phenyl)-N-{2-[4-(4-chloro-benzoyl)-piperidin-1-yl]-ethyl}-acrylamide
- IUPAC
- (E)-3-(5-bromo-2-methoxyphenyl)-N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]prop-2-enamide
Names & synonyms
SCHEMBL3838934NEZQRKGSXKYBEJ-RUDMXATFSA-N(E)-3-(5-Bromo-2-methoxy-phenyl)-N-{2-[4-(4-chloro-benzoyl)-piperidin-1-yl]-ethyl}-acrylamide
Database identifiers
- PubChem CID
- 10229092
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 616
Related reactions
1 records
Compound notes
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