Basic information
- CAS
57464-41-2- Standard SMILES
CN1CC[C@@H]2CC(NC(=O)c3ccc(Cl)c(Cl)c3)CC[C@H]2C1- InChIKey
ATSKMBMRURKEBN-LXKBMQFRSA-N- Molecular formula
- C17H22Cl2N2O
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 340.1109187
Names & identifiers
- Preferred name
- Benzamide, N-(decahydro-2-methylisoquinolin-6-yl)-3,4-dichloro-, (trans)-
- IUPAC
- N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]-3,4-dichlorobenzamide
Names & synonyms
57464-41-2BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)-3,4-DICHLORO-, (trans)-RefChem:1078111trans-6-(3,4-Dichlorobenzamido)-2-methyldecahydroisoquinolinetrans-N-(Decahydro-2-methylisoquinolin-6-yl)-3,4-dichlorobenzamide
Database identifiers
- CAS
57464-41-2- PubChem CID
- 42363
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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