Basic information
- Standard SMILES
CC(=O)NC(C)c1ccc(CN2CCc3cc(C(F)(F)F)ccc3C2)cc1- InChIKey
VALNCIITGYWFLX-UHFFFAOYSA-N- Molecular formula
- C21H23F3N2O
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- N-{1-[4-(6-Trifluoromethyl-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-phenyl]-ethyl}-acetamide
- IUPAC
- N-[1-[4-[[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]acetamide
Names & synonyms
N-{1-[4-(6-Trifluoromethyl-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-phenyl]-ethyl}-acetamideCHEMBL3901363SCHEMBL17583867BDBM230397US9340510, 1.001
Database identifiers
- PubChem CID
- 118939082
- ChEMBL
CHEMBL3901363
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 502
Related reactions
1 records
Compound notes
Loading…