Basic information
- Standard SMILES
CC(=O)Nc1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1C=C2- InChIKey
ICOQNWRHVGKNLK-UHFFFAOYSA-N- Molecular formula
- C25H21ClN2O2
- Average molar mass
- 416.9 g/mol
- Monoisotopic mass
- 416.1291556
Names & identifiers
- Preferred name
- N-[2-(5-acetyl-2-chloro-6H-benzo[c][1]benzazocin-8-yl)phenyl]acetamide
- IUPAC
- N-[2-(5-acetyl-2-chloro-6H-benzo[c][1]benzazocin-8-yl)phenyl]acetamide
Names & synonyms
SCHEMBL4044751SCHEMBL4044754
Database identifiers
- PubChem CID
- 68890741
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 666
Related reactions
2 records
Compound notes
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