5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione

C16H11Br2NO2 — CID 60976544

IUPAC5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
SMILESCc1cc(Br)cc(C)c1N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C16H11Br2NO2/c1-8-5-11(18)6-9(2)14(8)19-15(20)12-4-3-10(17)7-13(12)16(19)21/h3-7H,1-2H3
InChIKeyZCARIISEQPKZCJ-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.63
Rot. Bonds1

About 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione

5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione (PubChem CID 60976544) has the molecular formula C16H11Br2NO2 and a molecular weight of 409.08 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
PubChem CID60976544
Molecular FormulaC16H11Br2NO2
Molecular Weight409.08 g/mol
Exact Mass406.92
IUPAC Name5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
SMILESCc1cc(Br)cc(C)c1N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C16H11Br2NO2/c1-8-5-11(18)6-9(2)14(8)19-15(20)12-4-3-10(17)7-13(12)16(19)21/h3-7H,1-2H3
InChIKeyZCARIISEQPKZCJ-UHFFFAOYSA-N
XLogP4.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione (CID 60976544) is 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione is Cc1cc(Br)cc(C)c1N1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione?
The InChIKey is ZCARIISEQPKZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO2/c1-8-5-11(18)6-9(2)14(8)19-15(20)12-4-3-10(17)7-13(12)16(19)21/h3-7H,1-2H3.
What are the key properties of 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione?
5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione has a molecular weight of 409.08 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 60976544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).