Basic information
- Standard SMILES
CCC(=O)NC1CCCc2c(-c3ccc(Cl)cc3)cncc21- InChIKey
ZBOCWTSIRVBUSC-UHFFFAOYSA-N- Molecular formula
- C18H19ClN2O
- Average molar mass
- 314.8 g/mol
Names & identifiers
- Preferred name
- (rac)-N-(4-(4-Chlorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide
- IUPAC
- N-[4-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
Names & synonyms
CHEMBL3926525SCHEMBL15311949ZBOCWTSIRVBUSC-UHFFFAOYSA-NBDBM191895US9187429, 24US9187429, 25US9187429, 26(rac)-N-(4-(4-Chlorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide
Database identifiers
- PubChem CID
- 89846264
- ChEMBL
CHEMBL3926525
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
1 records
Compound notes
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