4,5-dibromo-N-(3-oxopropyl)-1H-pyrrole-2-carboxamide

HCID 640316

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

Related reactions

6 records

Compound notes

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