4-bromo-2-(2-methylphenyl)isoindole-1,3-dione

C15H10BrNO2 — CID 169336941

IUPAC4-bromo-2-(2-methylphenyl)isoindole-1,3-dione
SMILESCc1ccccc1N1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C15H10BrNO2/c1-9-5-2-3-8-12(9)17-14(18)10-6-4-7-11(16)13(10)15(17)19/h2-8H,1H3
InChIKeyWWPKIVJRWMPBFW-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.56
Rot. Bonds1

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

4-bromo-2-(2-methylphenyl)isoindole-1,3-dione (PubChem CID 169336941) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 4-bromo-2-(2-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-bromo-2-(2-methylphenyl)isoindole-1,3-dione
PubChem CID169336941
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name4-bromo-2-(2-methylphenyl)isoindole-1,3-dione
SMILESCc1ccccc1N1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C15H10BrNO2/c1-9-5-2-3-8-12(9)17-14(18)10-6-4-7-11(16)13(10)15(17)19/h2-8H,1H3
InChIKeyWWPKIVJRWMPBFW-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.56
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

4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
CID 2836357
N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide
CID 168652528
5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione
CID 1301025
1-(diaminomethylidene)-2-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]guanidine
CID 168604612
4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione
CID 832150
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
6-(2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 695615
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
2-cyano-N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide
CID 168522994
(4E)-4-[(5-bromothiophen-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 18208409
1-[2-(2,6-dimethylphenyl)phenyl]pyrrole-2,5-dione
CID 67802796
4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione
CID 4219186

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-bromo-2-(2-methylphenyl)isoindole-1,3-dione (CID 169336941) is 4-bromo-2-(2-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-bromo-2-(2-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-bromo-2-(2-methylphenyl)isoindole-1,3-dione is Cc1ccccc1N1C(=O)c2cccc(Br)c2C1=O.
What is the InChIKey of 4-bromo-2-(2-methylphenyl)isoindole-1,3-dione?
The InChIKey is WWPKIVJRWMPBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c1-9-5-2-3-8-12(9)17-14(18)10-6-4-7-11(16)13(10)15(17)19/h2-8H,1H3.
What are the key properties of 4-bromo-2-(2-methylphenyl)isoindole-1,3-dione?
4-bromo-2-(2-methylphenyl)isoindole-1,3-dione has a molecular weight of 316.15 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 169336941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).