Basic information
- CAS
39113-15-0- Standard SMILES
O=C(NN1Cc2ccccc2CC1=O)c1ccccc1- InChIKey
XZRWPQGDDQRRET-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- Benzamide, N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-
- IUPAC
- N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzamide
Names & synonyms
39113-15-0Benzamide, N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-RefChem:1078073BRN 1482806N-(3-Oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzamideBenzamide, N-(3,4-dihydro-3-oxo-2(1H)-isoquinolinyl)-DTXSID80959921N-(3-Oxo-3,4-dihydroisoquinolin-2(1H)-yl)benzenecarboximidic acid
Database identifiers
- CAS
39113-15-0- PubChem CID
- 217641
- DTXSID
DTXSID80959921- Nikkaji
- J73.143I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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