4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione

C24H16N2O4 — CID 142702251

IUPAC4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione
SMILESCc1ccc(-c2cccc3c2C(=O)NC3=O)c(C)c1-c1cccc2c1C(=O)NC2=O
InChIInChI=1S/C24H16N2O4/c1-11-9-10-13(14-5-3-7-16-19(14)23(29)25-21(16)27)12(2)18(11)15-6-4-8-17-20(15)24(30)26-22(17)28/h3-10H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyZCLXEYSRKTWATO-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.40
Rot. Bonds2

About 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione

4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione (PubChem CID 142702251) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione
PubChem CID142702251
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC Name4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione
SMILESCc1ccc(-c2cccc3c2C(=O)NC3=O)c(C)c1-c1cccc2c1C(=O)NC2=O
InChIInChI=1S/C24H16N2O4/c1-11-9-10-13(14-5-3-7-16-19(14)23(29)25-21(16)27)12(2)18(11)15-6-4-8-17-20(15)24(30)26-22(17)28/h3-10H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyZCLXEYSRKTWATO-UHFFFAOYSA-N
XLogP3.40
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione with MolForge

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Related Compounds

4-methyl-3-methylideneisoindol-1-one
CID 89017689
hydrazine;4-hydroxyisoindole-1,3-dione
CID 172812376
4-pyridin-4-ylisoindole-1,3-dione
CID 152780944
4-(1,3-dioxoisoindol-4-yl)sulfanylisoindole-1,3-dione
CID 21403125
5-aminoisoquinoline-1,3,4-trione
CID 163708538
4-(cyclobuten-1-yl)isoindole-1,3-dione
CID 158098721
4-methylsulfinylisoindole-1,3-dione
CID 174315291
1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione
CID 170859544
4-(methyldisulfanyl)isoindole-1,3-dione
CID 87696056
4-[(dimethylamino)methyl]isoindole-1,3-dione
CID 18348298
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
4-propan-2-yloxyisoindole-1,3-dione
CID 22997019

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione?
The IUPAC name of 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione (CID 142702251) is 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione?
The canonical SMILES for 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione is Cc1ccc(-c2cccc3c2C(=O)NC3=O)c(C)c1-c1cccc2c1C(=O)NC2=O.
What is the InChIKey of 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione?
The InChIKey is ZCLXEYSRKTWATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c1-11-9-10-13(14-5-3-7-16-19(14)23(29)25-21(16)27)12(2)18(11)15-6-4-8-17-20(15)24(30)26-22(17)28/h3-10H,1-2H3,(H,25,27,29)(H,26,28,30).
What are the key properties of 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione?
4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione has a molecular weight of 396.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 142702251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).