3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid
Basic information
- CAS
57464-35-4- Standard SMILES
CN1CC[C@H]2CC(NC(=O)c3ccc(Cl)c(Cl)c3)CC[C@H]2C1- InChIKey
ATSKMBMRURKEBN-ULVQEXTCSA-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-6-yl)benzene-1-carboximidic acid
- IUPAC
- N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]-3,4-dichlorobenzamide
Names & synonyms
57464-35-4DTXSID309729833,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acidRefChem:1065723DTXCID701400442cis-6-(3,4-Dichlorobenzamido)-2-methyldecahydroisoquinolineBENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)-3,4-DICHLORO-, (cis)-cis-N-(Decahydro-2-methylisoquinolin-6-yl)-3,4-dichlorobenzamide3,4-Dichloro-N-[(4aS,8aR)-2-methyldecahydroisoquinolin-6-yl]benzene-1-carboximidic acid
Database identifiers
- CAS
57464-35-4- PubChem CID
- 42356
- DTXSID
DTXSID30972983
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
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Compound notes
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