Basic information
- CAS
57464-34-3- Standard SMILES
CN1CC[C@H]2CC(NC(=O)c3ccc(Cl)cc3)CC[C@H]2C1- InChIKey
NOTUIFWEVJCXDV-ADTLFGHVSA-N- Molecular formula
- C17H23ClN2O
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.1498911
Names & identifiers
- Preferred name
- Benzamide, p-chloro-N-(decahydro-2-methylisoquinolin-6-yl)-, (Z)-
- IUPAC
- N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]-4-chlorobenzamide
Names & synonyms
BENZAMIDE, p-CHLORO-N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)-, (Z)-57464-34-3RefChem:1078141cis-6-(p-Chlorobenzamido)-2-methyldecahydroisoquinolineBRN 0411354cis-p-Chloro-N-(decahydro-2-methylisoquinolin-6-yl)benzamideDTXSID709729824-Chloro-N-(2-methyldecahydroisoquinolin-6-yl)benzamide4-chloro-N-[(4aS,8aR)-2-methyldecahydroisoquinolin-6-yl]benzamide
Database identifiers
- CAS
57464-34-3- PubChem CID
- 42355
- DTXSID
DTXSID70972982- Nikkaji
- J149.065F
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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