Basic information
- Standard SMILES
O=CCCNC(=O)c1cc(Br)c(Br)[nH]1- InChIKey
JTGOEAKUSWRSHE-UHFFFAOYSA-N- Molecular formula
- C8H8Br2N2O2
- Average molar mass
- 323.97 g/mol
- Monoisotopic mass
- 321.89525
Names & identifiers
- Preferred name
- 4,5-dibromo-N-(3-oxopropyl)-1H-pyrrole-2-carboxamide
- IUPAC
- 4,5-dibromo-N-(3-oxopropyl)-1H-pyrrole-2-carboxamide
Names & synonyms
4,5-dibromo-N-(3-oxopropyl)-1H-pyrrole-2-carboxamideSCHEMBL7152545JTGOEAKUSWRSHE-UHFFFAOYSA-N4,5-Dibromo-N-(3-oxopropyl)pyrrole-2-carboxamide1H-pyrrole-2-carboxamide, 4,5-dibromo-N-(3-oxopropyl)-InChI=1/C8H8Br2N2O2/c9-5-4-6(12-7(5)10)8(14)11-2-1-3-13/h3-4,12H,1-2H2,(H,11,14
Database identifiers
- PubChem CID
- 640316
- Nikkaji
- J925.046H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Related reactions
6 records
Compound notes
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