N-(4-Bromo-2-(2-pyridylcarbonyl)phenyl)benzamide
Basic information
- CAS
22753-88-4- Standard SMILES
O=C(Nc1cc(Br)ccc1C(=O)c1ccccn1)c1ccccc1- InChIKey
YAPJCHBOQPWLBN-UHFFFAOYSA-N- Molecular formula
- C19H13BrN2O2
- Average molar mass
- 381.2 g/mol
- Monoisotopic mass
- 380.01604
Names & identifiers
- Preferred name
- N-(4-Bromo-2-(2-pyridylcarbonyl)phenyl)benzamide
- IUPAC
- N-[5-bromo-2-(pyridine-2-carbonyl)phenyl]benzamide
- English name
- 2-(2-Benzamido-5-bromobenzoyl)pyridine
- Molecular formula
- C19H13BrN2O2
- Molecular weight
- 381.22
Names & synonyms
N-(4-Bromo-2-(2-pyridylcarbonyl)phenyl)benzamideEINECS 245-201-6N-[5-bromo-2-(pyridine-2-carbonyl)phenyl]benzamideDTXSID50945437N-[5-Bromo-2-(pyridine-2-carbonyl)phenyl]benzenecarboximidic acid2-(2-Benzamido-5-bromobenzoyl)pyridineN-(4-Bromo-2-picolinoylphenyl)benzamideN-[4-bromo-2-(2-pyridylcarbonyl)phenyl]benzamideN-[4-Bromo-2-(2-pyridinylcarbonyl)phenyl]benzamideBenzamide, N-[4-bromo-2-(2-pyridinylcarbonyl)phenyl]-
Database identifiers
- CAS
22753-88-4- PubChem CID
- 89823
- DTXSID
DTXSID50945437
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 138 · 138-140 °C (decomp)(Solv: ethanol (64-17-5))
- Boiling point
- 479.5 · 479.5±45.0 °C(Predicted)
- Density
- 1.49 · 1.490±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.9 · 11.90±0.70(Predicted)
- InChI
- InChI=1S/C19H13BrN2O2/c20-14-9-10-16(22-19(24)13-6-2-1-3-7-13)15(12-14)18(23)17-8-4-5-11-21-17/h1-12H,(H,22,24)
- InChIKey
- JBFBLJZYATVKLI-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(Br)C=C1C(C1=NC=CC=C1)=O)(=O)C1=CC=CC=C1
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- REACH Registrations
- Active
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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