Basic information
- CAS
53525-92-1- Standard SMILES
CN1CC[C@H]2CCCC(NC(=O)c3ccc(Cl)cc3)[C@@H]2C1- InChIKey
DKGLLPPJPAJWAE-CEPMMTIFSA-N- Molecular formula
- C17H23ClN2O
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.1498911
Names & identifiers
- Preferred name
- Benzamide, 4-chloro-N-(decahydro-2-methylisoquinolin-8-yl)-, (trans)-
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-4-chlorobenzamide
Names & synonyms
53525-92-1BENZAMIDE, 4-CHLORO-N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-, (trans)-RefChem:1078000Isoquinoline, decahydro-8-(4-chlorobenzamido)-2-methyl-, (E)-trans-Decahydro-8-(4-chlorobenzamido)-2-methylisoquinolinetrans-4-Chloro-N-(decahydro-2-methylisoquinolin-8-yl)benzamide
Database identifiers
- CAS
53525-92-1- PubChem CID
- 40804
Properties
Computed structural properties
- XLogP
- 3.6
- 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
Loading…