Basic information
- CAS
72469-16-0- Standard SMILES
CN1CC[C@@H]2C(NC(=O)c3cccc(Cl)c3)CCC[C@H]2C1- InChIKey
JURJKXLIZOFODL-JFXOEICMSA-N- Molecular formula
- C17H23ClN2O
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.1498911
Names & identifiers
- Preferred name
- 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid
- IUPAC
- N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3-chlorobenzamide
Names & synonyms
72469-16-0DTXSID409932853-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acidRefChem:1067613DTXCID001420336trans-3-Chloro-N-(2-methyldecahydroisoquinol-5-yl)benzamideBENZAMIDE, 3-CHLORO-N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-3-Chloro-N-[(4aS,8aR)-2-methyldecahydroisoquinolin-5-yl]benzene-1-carboximidic acid
Database identifiers
- CAS
72469-16-0- PubChem CID
- 51598
- DTXSID
DTXSID40993285
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
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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