2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione

C17H14BrNO2 — CID 103430503

IUPAC2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3c(C)ccc(C)c3C2=O)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-9-4-7-13(12(18)8-9)19-16(20)14-10(2)5-6-11(3)15(14)17(19)21/h4-8H,1-3H3
InChIKeyUEGBBYVISVBVRB-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.17
Rot. Bonds1

About 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione

2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430503) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione
PubChem CID103430503
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3c(C)ccc(C)c3C2=O)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-9-4-7-13(12(18)8-9)19-16(20)14-10(2)5-6-11(3)15(14)17(19)21/h4-8H,1-3H3
InChIKeyUEGBBYVISVBVRB-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430565
2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 107640958
2-(2-bromo-4-methylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3140663
4-(2-bromo-4-methylphenyl)morpholine-3,5-dione
CID 60975341
2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385991
(1R,2R,6S,7S)-4-(2-bromo-4-methylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2177179
4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione
CID 4219186
3-(2-bromo-4-methylphenyl)-6-phenyl-3,6-diazabicyclo[3.1.0]hexane-2,4-dione
CID 3848173
2-bromo-1,4-dimethylbenzene;ethane
CID 142028009
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
1-(2-bromo-5-methylphenyl)pyrrole-2,5-dione
CID 82757766
2-(5-amino-2-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103429554

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione (CID 103430503) is 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione is Cc1ccc(N2C(=O)c3c(C)ccc(C)c3C2=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is UEGBBYVISVBVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-9-4-7-13(12(18)8-9)19-16(20)14-10(2)5-6-11(3)15(14)17(19)21/h4-8H,1-3H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione?
2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 344.21 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).