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

C16H11BrClNO2 — CID 103430565

IUPAC2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1ccc(Cl)cc1Br)C2=O
InChIInChI=1S/C16H11BrClNO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-6-5-10(18)7-11(12)17/h3-7H,1-2H3
InChIKeyOXYOQGANPKHCKJ-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.52
Rot. Bonds1

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

2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430565) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
PubChem CID103430565
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1ccc(Cl)cc1Br)C2=O
InChIInChI=1S/C16H11BrClNO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-6-5-10(18)7-11(12)17/h3-7H,1-2H3
InChIKeyOXYOQGANPKHCKJ-UHFFFAOYSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.52
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-methylphenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430503
1-(2-bromo-4-chlorophenyl)imidazolidine-2,4,5-trione
CID 81275183
2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 107640958
1-(2-bromo-4-chlorophenyl)azepane-2,7-dione
CID 81274115
2-(5-amino-2-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103429554
2-(2-bromo-4-chlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 81273690
2-(2-bromo-4-chlorophenyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512732
2-(3-bromo-4-methylphenyl)-5-chloroisoindole-1,3-dione
CID 1219486
2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 81274397
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
2-(4-chloro-2-methylphenyl)-4-nitroisoindole-1,3-dione
CID 5110936
3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584265

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione (CID 103430565) is 2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(c1ccc(Cl)cc1Br)C2=O.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is OXYOQGANPKHCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-6-5-10(18)7-11(12)17/h3-7H,1-2H3.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione?
2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 364.63 g/mol, XLogP of 4.52, 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-chlorophenyl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).