1-(3-Bromophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione

Substructure search Find similar structures

Basic information

CAS: 5186-11-8
Standard SMILES: Cc1ccc(C2=CC(=O)N(c3cccc(Br)c3)C2=O)cc1
InChIKey: XGTRUHCMQAOGEZ-UHFFFAOYSA-N
Molecular formula: C17H12BrNO2
Average molar mass: 342.2 g/mol
Monoisotopic mass: 341.00514

Names & identifiers

Preferred name: 1-(3-Bromophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione
IUPAC: 1-(3-bromophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione

Names & synonyms

5186-11-81-(3-bromophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione1-(3-Bromophenyl)-3-(4-methylphenyl)-1H-pyrrole-2,5-dioneCBMicro_017129SCHEMBL1473671DTXSID50416718CCG-5079BIM-0016971.P001

Database identifiers

CAS: 5186-11-8
PubChem CID: 5337765
DTXSID: DTXSID50416718

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 465

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…