2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione

C16H11BrFNO2 — CID 107640958

IUPAC2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1cc(F)ccc1Br)C2=O
InChIInChI=1S/C16H11BrFNO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-7-10(18)5-6-11(12)17/h3-7H,1-2H3
InChIKeySKHMNCDCOGEIME-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.01
Rot. Bonds1

About 2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione

2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 107640958) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
PubChem CID107640958
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1cc(F)ccc1Br)C2=O
InChIInChI=1S/C16H11BrFNO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-7-10(18)5-6-11(12)17/h3-7H,1-2H3
InChIKeySKHMNCDCOGEIME-UHFFFAOYSA-N
XLogP4.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.01
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
2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430565
5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 28773130
2-(3-bromo-2-methylphenyl)-5-fluoroisoindole-1,3-dione
CID 59375008
1-(2-bromo-5-methylphenyl)pyrrole-2,5-dione
CID 82757766
1-(2-bromo-5-fluorophenyl)-5-methylpyrazole
CID 172608601
1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione
CID 43153915
2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 23792936
4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
CID 28773083
2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione
CID 103430551
1-bromo-4-fluoro-2-methylbenzene;difluoromethane
CID 160708102
1-(2-bromo-5-fluorophenyl)-3-methylazetidine
CID 107641053

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione (CID 107640958) is 2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(c1cc(F)ccc1Br)C2=O.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is SKHMNCDCOGEIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-7-10(18)5-6-11(12)17/h3-7H,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione?
2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 348.17 g/mol, XLogP of 4.01, 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-fluorophenyl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 107640958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).