Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-
Basic information
- CAS
53525-94-3- Standard SMILES
CN1CC[C@H]2CCCC(NC(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2C1- InChIKey
MWEVQAAGLFTBSC-BXKKICEVSA-N- Molecular formula
- C17H22Cl2N2O
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 340.1109187
Names & identifiers
- Preferred name
- Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4-dichlorobenzamide
Names & synonyms
53525-94-3BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-3,4-DICHLORO-, (trans)-RefChem:1078117Isoquinoline, decahydro-8-(3,4-dichlorobenzamido)-2-methyl-, (E)-trans-Decahydro-8-(3,4-dichlorobenzamido)-2-methylisoquinolinetrans-N-(Decahydro-2-methylisoquinolin-8-yl)-3,4-dichlorobenzamideDTXSID009682723,4-Dichloro-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid3,4-Dichloro-N-[(4aR,8aS)-2-methyldecahydroisoquinolin-8-yl]benzene-1-carboximidic acid
Database identifiers
- CAS
53525-94-3- PubChem CID
- 40805
- DTXSID
DTXSID00968272
Properties
Computed structural properties
- XLogP
- 4.2
- 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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Related reactions
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Compound notes
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