1-(4-bromophenyl)-N-[2-(2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
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Basic information
- CAS
691869-06-4- Standard SMILES
O=C(NCCc1ccccn1)c1cccn1-c1ccc(Br)cc1- InChIKey
DXBUFWHNBVQCSO-UHFFFAOYSA-N- Molecular formula
- C18H16BrN3O
- Average molar mass
- 370.2 g/mol
- Monoisotopic mass
- 369.04767
Names & identifiers
- Preferred name
- 1-(4-bromophenyl)-N-[2-(2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
- IUPAC
- 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
- English name
- 1-(4-BROMOPHENYL)-N-[2-(2-PYRIDINYL)ETHYL]-1H-PYRROLE-2-CARBOXAMIDE
- Molecular formula
- C18H16BrN3O
- Molecular weight
- 370.24
Names & synonyms
691869-06-41-(4-bromophenyl)-N-[2-(2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide1-(4-bromophenyl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamideBionet1_004919MixCom3_000187AKOS00507927411R-06491H-Pyrrole-2-carboxamide, 1-(4-bromophenyl)-N-[2-(2-pyridinyl)ethyl]-
Database identifiers
- CAS
691869-06-4- PubChem CID
- 2768190
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 575.7 · 575.7±45.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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