3-Bromo-N-(1-(2-furyl)ethyl)-N-(2-pyridinyl)benzamide
Basic information
- CAS
402480-93-7- Standard SMILES
CC(c1ccco1)N(C(=O)c1cccc(Br)c1)c1ccccn1- InChIKey
KHQDTKACXNSUDM-UHFFFAOYSA-N- Molecular formula
- C18H15BrN2O2
- Average molar mass
- 371.2 g/mol
- Monoisotopic mass
- 370.03169
Names & identifiers
- Preferred name
- 3-Bromo-N-(1-(2-furyl)ethyl)-N-(2-pyridinyl)benzamide
- IUPAC
- 3-bromo-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
- English name
- 3-Bromo-N-[1-(furan-2-yl)ethyl]-N-(pyridin-2-yl)benzamide
- Molecular formula
- C18H15BrN2O2
- Molecular weight
- 371.23
Names & synonyms
MLS001171429CHEMBL1557128HMS2921P09AKOS001018507AKOS016877117SMR000596187Z567925293-BROMO-N-(1-(2-FURYL)ETHYL)-N-(2-PYRIDINYL)BENZAMIDEBenzamide, 3-bromo-N-[1-(2-furanyl)ethyl]-N-2-pyridinyl-3-Bromo-N-[1-(furan-2-yl)ethyl]-N-(pyridin-2-yl)benzamide
Database identifiers
- CAS
402480-93-7- PubChem CID
- 3559481
- ChEMBL
CHEMBL1557128- EC Number
- 122-235-9
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 483.8 · 483.8±45.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- pka
- 2.71 · 2.71±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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