Basic information
- CAS
39113-18-3- Standard SMILES
O=C(NN1Cc2ccccc2CC1=O)c1ccc(Cl)c(Cl)c1- InChIKey
XISZRDGMCUTRIH-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2N2O2
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.027583
Names & identifiers
- Preferred name
- Benzamide, 3,4-dichloro-N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-
- IUPAC
- 3,4-dichloro-N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzamide
- English name
- 3,4-dichloro-N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzamide
- Molecular formula
- C16H12Cl2N2O2
- Molecular weight
- 0
Names & synonyms
39113-18-3Benzamide, 3,4-dichloro-N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-RefChem:1077960BRN 14887313,4-Dichloro-N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzamideBenzamide, 3,4-dichloro-N-(3,4-dihydro-3-oxo-2(1H)-isoquinolinyl)-DTXSID409599223,4-dichloro-N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzamideDB-2619133,4-Dichloro-N-(3-oxo-3,4-dihydroisoquinolin-2(1H)-yl)benzene-1-carboximidic acidReaxys ID: 1488731
Database identifiers
- CAS
39113-18-3- PubChem CID
- 217643
- DTXSID
DTXSID40959922- Nikkaji
- J73.097A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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