Basic information
- CAS
892670-56-3- Standard SMILES
O=C(Nc1cccc2ncccc12)c1ccccc1Br- InChIKey
DDSYSYFQGLGIEP-UHFFFAOYSA-N- Molecular formula
- C16H11BrN2O
- Average molar mass
- 327.17 g/mol
- Monoisotopic mass
- 326.00548
Names & identifiers
- Preferred name
- 2-bromo-N-quinolin-5-ylbenzamide
- IUPAC
- 2-bromo-N-quinolin-5-ylbenzamide
- English name
- 2-bromo-N-(5-quinolinyl)benzamide
- Molecular formula
- C16H11BrN2O
- Molecular weight
- 327.18
Names & synonyms
2-bromo-N-quinolin-5-ylbenzamide2-bromo-N-(5-quinolinyl)benzamide2-bromo-N-(quinolin-5-yl)benzamide892670-56-3STK236576AKOS000188938UPCMLD0ENAT5384227:001AP-970/06895001Z29904123F5791-2972Benzamide, 2-bromo-N-5-quinolinyl-
Database identifiers
- CAS
892670-56-3- PubChem CID
- 952464
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 409.3 · 409.3±25.0 °C(Predicted)
- Density
- 1.544 · 1.544±0.06 g/cm3(Predicted)
- pka
- 11.45 · 11.45±0.43(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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