Basic information
- Standard SMILES
CCC(=O)NC1CCCc2c(-c3ccc(F)c(C)c3)cncc21- InChIKey
QZVUORKNBRDTPK-UHFFFAOYSA-N- Molecular formula
- C19H21FN2O
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- (rac)-N-(4-(4-Fluoro-3-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide
- IUPAC
- N-[4-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
Names & synonyms
CHEMBL3893227SCHEMBL15311932QZVUORKNBRDTPK-UHFFFAOYSA-NBDBM191897US9187429, 27US9187429, 28US9187429, 29(rac)-N-(4-(4-Fluoro-3-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide
Database identifiers
- PubChem CID
- 89846252
- ChEMBL
CHEMBL3893227
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
1 records
Compound notes
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