Basic information
- CAS
72469-11-5- Standard SMILES
CN1CC[C@H]2C(NC(=O)c3ccc(Cl)c(Cl)c3)CCC[C@@H]2C1- InChIKey
QEHYKCMIGAKKMG-SXMVJOELSA-N- Molecular formula
- C17H22Cl2N2O
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 340.1109187
Names & identifiers
- Preferred name
- 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3,4-dichlorobenzamide
Names & synonyms
72469-11-5DTXSID409932803,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acidRefChem:1065722DTXCID501420331trans-3,4-Dichloro-N-(2-methyldecahydroisoquinol-5-yl)benzamideBENZAMIDE, 3,4-DICHLORO-N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-3,4-Dichloro-N-[(4aR,8aS)-2-methyldecahydroisoquinolin-5-yl]benzene-1-carboximidic acid
Database identifiers
- CAS
72469-11-5- PubChem CID
- 51593
- DTXSID
DTXSID40993280
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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