4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid

C24H12N2O7 — CID 67740340

IUPAC4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccc3c2C(=O)N(C(=O)N2C(=O)c4ccccc4C2=O)C3=O)cc1
InChIInChI=1S/C24H12N2O7/c27-19-15-4-1-2-5-16(15)20(28)25(19)24(33)26-21(29)17-7-3-6-14(18(17)22(26)30)12-8-10-13(11-9-12)23(31)32/h1-11H,(H,31,32)
InChIKeyISFOBJNVQJZUEW-UHFFFAOYSA-N
MW440.37 g/mol
LogP3.06
Rot. Bonds2

About 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid

4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid (PubChem CID 67740340) has the molecular formula C24H12N2O7 and a molecular weight of 440.37 g/mol. Its IUPAC name is 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid
PubChem CID67740340
Molecular FormulaC24H12N2O7
Molecular Weight440.37 g/mol
Exact Mass440.06
IUPAC Name4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccc3c2C(=O)N(C(=O)N2C(=O)c4ccccc4C2=O)C3=O)cc1
InChIInChI=1S/C24H12N2O7/c27-19-15-4-1-2-5-16(15)20(28)25(19)24(33)26-21(29)17-7-3-6-14(18(17)22(26)30)12-8-10-13(11-9-12)23(31)32/h1-11H,(H,31,32)
InChIKeyISFOBJNVQJZUEW-UHFFFAOYSA-N
XLogP3.06
TPSA129.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 748193
1,3-dioxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 734300
2-(4-Carboxybenzyl)-1,3-dioxoisoindoline-5-carboxylic acid
CID 777054
4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzoic acid
CID 747553
2-[7-(5-Carboxy-1,3-dioxo-2,3-dihydro-1H-isoindol-2-YL)heptyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 3100254
4-{[5-({2-[(4-carboxyphenyl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}carbonyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]methyl}benzoic acid
CID 2263603
1,1',3,3'-Tetraoxo-1,1',3,3'-tetrahydro-2,2'-biisoindole-5-carboxylic acid
CID 747722
2-[2-[(2R)-2-phenylbutanoyl]-1,3-dihydroisoindol-5-yl]benzoic acid
CID 176251126
2-[2-[(2S)-2-phenylbutanoyl]-1,3-dihydroisoindol-5-yl]benzoic acid
CID 176251161
2-(2-Pentanoyl-1-phenyl-1,3-dihydroisoindol-5-yl)benzoic acid
CID 176251162
2-[2-(3-Phenylbutanoyl)-1,3-dihydroisoindol-5-yl]benzoic acid
CID 176251229
2-(2-Pentanoyl-3-phenyl-1,3-dihydroisoindol-5-yl)benzoic acid
CID 176251279

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid?
The IUPAC name of 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid (CID 67740340) is 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid.
What is the SMILES notation for 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid?
The canonical SMILES for 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid is O=C(O)c1ccc(-c2cccc3c2C(=O)N(C(=O)N2C(=O)c4ccccc4C2=O)C3=O)cc1.
What is the InChIKey of 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid?
The InChIKey is ISFOBJNVQJZUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N2O7/c27-19-15-4-1-2-5-16(15)20(28)25(19)24(33)26-21(29)17-7-3-6-14(18(17)22(26)30)12-8-10-13(11-9-12)23(31)32/h1-11H,(H,31,32).
What are the key properties of 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid?
4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid has a molecular weight of 440.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxoisoindole-2-carbonyl)-1,3-dioxoisoindol-4-yl]benzoic acid is sourced from PubChem (CID 67740340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).