Basic information
- Standard SMILES
CC(C)C(=O)Nc1cccc(C2CCN(CC[C@H](NC(=O)c3cccc(Cl)c3)c3ccccc3)CC2)c1- InChIKey
PBNIMYAPIUPZAB-LJAQVGFWSA-N- Molecular formula
- C31H36ClN3O2
- Average molar mass
- 518.1 g/mol
- Monoisotopic mass
- 517.2496051
Names & identifiers
- Preferred name
- 3-Chloro-N-((1S)-3-{4-[3-(isobutyrylamino)phenyl]-1-piperidinyl}-1-phenylpropyl)benzamide
- IUPAC
- 3-chloro-N-[(1S)-3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]benzamide
Names & synonyms
SCHEMBL5664967PBNIMYAPIUPZAB-LJAQVGFWSA-N3-CHLORO-N-((1S)-3-{4-[3-(ISOBUTYRYLAMINO)PHENYL]-1-PIPERIDINYL}-1-PHENYLPROPYL)BENZAMIDE
Database identifiers
- PubChem CID
- 58651307
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 717
Related reactions
2 records
Compound notes
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