Basic information
- Standard SMILES
C[C@H](NC(=O)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F- InChIKey
OGMWZDQYXGKSBP-YVEFUNNKSA-N- Molecular formula
- C20H18F6N2O
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.13233217
Names & identifiers
- Preferred name
- (R)-1-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
- IUPAC
- (1R)-1-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
Names & synonyms
AMG9678CHEMBL32359691159997-27-9orb1687880SCHEMBL3057153BDBM50008700DA-70766HY-104062CS-0027738T62158(1R)-1-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide(R)-1-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Database identifiers
- PubChem CID
- 59536364
- ChEMBL
CHEMBL3235969
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Related reactions
1 records
Compound notes
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