2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione

C15H9BrClNO2 — CID 81274397

IUPAC2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Br)C2=O
InChIInChI=1S/C15H9BrClNO2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-7-9(17)3-5-12(13)16/h2-7H,1H3
InChIKeyGKOSCBBJTTVQSR-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.21
Rot. Bonds1

About 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione

2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione (PubChem CID 81274397) has the molecular formula C15H9BrClNO2 and a molecular weight of 350.60 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione
PubChem CID81274397
Molecular FormulaC15H9BrClNO2
Molecular Weight350.60 g/mol
Exact Mass348.95
IUPAC Name2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Br)C2=O
InChIInChI=1S/C15H9BrClNO2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-7-9(17)3-5-12(13)16/h2-7H,1H3
InChIKeyGKOSCBBJTTVQSR-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.21
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-(2,5-dibromophenyl)-5-methylisoindole-1,3-dione
CID 17132722
2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 43345930
1-(2-bromo-5-methylphenyl)pyrrole-2,5-dione
CID 82757766
2-(3-bromo-4-methylphenyl)-5-chloroisoindole-1,3-dione
CID 1219486
2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione
CID 43345931
1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500313
5-methyl-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione
CID 53231887
2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione
CID 60785294
2-(3-bromophenyl)-5-methylisoindole-1,3-dione
CID 43236211
1-(2-bromo-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 82756585
1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole
CID 81275683
2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430565

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione (CID 81274397) is 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Br)C2=O.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione?
The InChIKey is GKOSCBBJTTVQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-7-9(17)3-5-12(13)16/h2-7H,1H3.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione?
2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione has a molecular weight of 350.60 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 81274397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).