4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide
Basic information
- CAS
72469-17-1- Standard SMILES
CN1CC[C@H]2C(NC(=O)c3ccc(F)cc3)CCC[C@@H]2C1- InChIKey
ZXUXBBXHJDRZIY-CWSLVUQWSA-N- Molecular formula
- C17H23FN2O
- Average molar mass
- 290.38 g/mol
- Monoisotopic mass
- 290.17944152
Names & identifiers
- Preferred name
- 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-fluorobenzamide
Names & synonyms
72469-17-1DTXSID009932864-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamideRefChem:1070679DTXCID701420337trans-4-Fluoro-N-(2-methyldecahydroisoquinol-5-yl)benzamideBENZAMIDE, 4-FLUORO-N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-4-Fluoro-N-[(4aR,8aS)-2-methyldecahydroisoquinolin-5-yl]benzamide
Database identifiers
- CAS
72469-17-1- PubChem CID
- 51599
- DTXSID
DTXSID00993286
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
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Compound notes
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