Basic information
- CAS
72469-09-1- Standard SMILES
CN1CC[C@H]2C(NC(=O)c3ccc(Cl)cc3)CCC[C@@H]2C1- InChIKey
PRJGCDIWQLEJOU-CWSLVUQWSA-N- Molecular formula
- C17H23ClN2O
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.1498911
Names & identifiers
- Preferred name
- Benzamide, 4-chloro-N-(2-methyldecahydroisoquinol-5-yl)-, (E)-
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-chlorobenzamide
Names & synonyms
72469-09-1BENZAMIDE, 4-CHLORO-N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-RefChem:1077999trans-4-Chloro-N-(2-methyldecahydroisoquinol-5-yl)benzamideDTXSID709932784-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide4-Chloro-N-[(4aR,8aS)-2-methyldecahydroisoquinolin-5-yl]benzamide
Database identifiers
- CAS
72469-09-1- PubChem CID
- 51591
- DTXSID
DTXSID70993278
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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