Molecule ID: 443040

IUPAC Name: 2-(4-bromophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione

Description: The molecule is a dicarboximide that is 3,4,5,6-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a p-bromophenyl group. It is a secondary amide, an organonitrogen heterocyclic compound, a member of maleimides, a member of bromobenzenes and an organic heterobicyclic compound.

SMILES: O=C1C2=C(CCCC2)C(=O)N1c1ccc(Br)cc1

SELFIES: [O][=C][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C14H12BrNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h5-8H,1-4H2

Molecular Properties:
- Polar Surface Area: 37.4 Ų
- LogP: 3.1