Basic information
- CAS
879165-71-6- Standard SMILES
O=C(NCc1ccc(Cl)cc1)N1CCc2ccccc2C1- InChIKey
SVGYYIAECRSSDG-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.1029409
Names & identifiers
- Preferred name
- N-[(4-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
Names & synonyms
MLS001176400CHEMBL1415370DTXSID501324127HMS2910J08N-[(4-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamideAKOS001286051879165-71-6SMR000594694Z183307864N-[(4-Chlorophenyl)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Database identifiers
- CAS
879165-71-6- PubChem CID
- 9508757
- DTXSID
DTXSID501324127- ChEMBL
CHEMBL1415370
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Solubility4.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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