2-(4-Bromo-2-ethyl-benzyl)-isoindole-1,3-dione

HCID 58764287

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1cc(Br)ccc1CN1C(=O)c2ccccc2C1=O
InChIKey: RLZRNUBSGZFDMH-UHFFFAOYSA-N
Molecular formula: C17H14BrNO2
Average molar mass: 344.2 g/mol

Names & identifiers

Preferred name: 2-(4-Bromo-2-ethyl-benzyl)-isoindole-1,3-dione
IUPAC: 2-[(4-bromo-2-ethylphenyl)methyl]isoindole-1,3-dione

Names & synonyms

SCHEMBL4477320RLZRNUBSGZFDMH-UHFFFAOYSA-NDB-2025702-(4-Bromo-2-ethyl-benzyl)-isoindole-1,3-dione2-[(4-Bromo-2-ethylphenyl)methyl]-1h-isoindole-1,3(2h)-dione877131-77-6

Database identifiers

PubChem CID: 58764287

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 401

Related reactions

8 records

New reaction record

HRID 290783As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 859689As productuspto-grants-2006_12

HRID 859690As reactantuspto-grants-2006_12

HRID 1438273As productuspto-grants-2009_11

HRID 1438274As reactantuspto-grants-2009_11

HRID 1551001As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2387080As productuspto-grants-2012_09

HRID 2387081As reactantuspto-grants-2012_09

Compound notes

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