Basic information
- Standard SMILES
CC(C(=O)NCc1ccc(Cl)cc1Cl)c1cccc2cnccc12- InChIKey
CMPHYZOIMQBBRP-UHFFFAOYSA-N- Molecular formula
- C19H16Cl2N2O
- Average molar mass
- 359.2 g/mol
Names & identifiers
- Preferred name
- N-(2,4-dichlorobenzyl)-2-(5-isoquinolinyl)propanamide
- IUPAC
- N-[(2,4-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide
Names & synonyms
SCHEMBL4021993CMPHYZOIMQBBRP-UHFFFAOYSA-NN-(2,4-dichlorobenzyl)-2-(5-isoquinolinyl)propanamide
Database identifiers
- PubChem CID
- 22337583
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 434
Related reactions
4 records
Compound notes
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