Basic information
- CAS
524042-00-0- Standard SMILES
O=C(Nc1cccc2ncccc12)c1cccc(Br)c1- InChIKey
TYVLSBCFFLRBAH-UHFFFAOYSA-N- Molecular formula
- C16H11BrN2O
- Average molar mass
- 327.17 g/mol
- Monoisotopic mass
- 326.00548
Names & identifiers
- Preferred name
- 3-bromo-N-quinolin-5-ylbenzamide
- IUPAC
- 3-bromo-N-quinolin-5-ylbenzamide
- English name
- 3-bromo-N-quinolin-5-ylbenzamide
- Molecular formula
- C16H11BrN2O
- Molecular weight
- 327.18
Names & synonyms
3-bromo-N-quinolin-5-ylbenzamide3-bromo-N-(quinolin-5-yl)benzamide524042-00-0Cambridge id 7101005MLS001165175CHEMBL1702418DTXSID701320307HMS2865A10STL354481AKOS000190536SMR000540346(3-bromophenyl)-N-(5-quinolyl)carboxamide
Show more names
Benzamide, 3-bromo-N-5-quinolinyl-
ST45097968SR-01000251233SR-01000251233-1F5791-2973
Database identifiers
- CAS
524042-00-0- PubChem CID
- 930554
- DTXSID
DTXSID701320307- ChEMBL
CHEMBL1702418
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
Experimental & physicochemical properties
Solubility16.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 408.5 · 408.5±25.0 °C(Predicted)
- Density
- 1.544 · 1.544±0.06 g/cm3(Predicted)
- pka
- 12.06 · 12.06±0.43(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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