4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid

C23H13NO7 — CID 57076792

IUPAC4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid
SMILESO=C(c1ccc(C(=O)O)c(C(=O)O)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C23H13NO7/c25-19(13-7-9-16(22(28)29)18(11-13)23(30)31)12-6-8-15-17(10-12)21(27)24(20(15)26)14-4-2-1-3-5-14/h1-11H,(H,28,29)(H,30,31)
InChIKeyZPUOOCBZASURTA-UHFFFAOYSA-N
MW415.36 g/mol
LogP3.11
Rot. Bonds5

About 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid

4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid (PubChem CID 57076792) has the molecular formula C23H13NO7 and a molecular weight of 415.36 g/mol. Its IUPAC name is 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid.

Molecular Properties

Compound Name4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid
PubChem CID57076792
Molecular FormulaC23H13NO7
Molecular Weight415.36 g/mol
Exact Mass415.07
IUPAC Name4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid
SMILESO=C(c1ccc(C(=O)O)c(C(=O)O)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C23H13NO7/c25-19(13-7-9-16(22(28)29)18(11-13)23(30)31)12-6-8-15-17(10-12)21(27)24(20(15)26)14-4-2-1-3-5-14/h1-11H,(H,28,29)(H,30,31)
InChIKeyZPUOOCBZASURTA-UHFFFAOYSA-N
XLogP3.11
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[5-[2-(3,5-dicarboxyphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzene-1,3-dicarboxylic acid
CID 2832508
5-(1,3-dioxo-2-phenylisoindole-5-carbonyl)-2-methylisoindole-1,3-dione;5-(1,3-dioxo-2-phenylisoindole-5-carbonyl)-2-phenylisoindole-1,3-dione;ethane;methylsulfonylmethane
CID 158942524
4-(1,3-dioxoisoindol-2-yl)phthalic acid
CID 168515933
5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione
CID 761887
4-[2-(4-aminocyclohexyl)-1,3-dioxoisoindole-5-carbonyl]phthalic acid
CID 177481847
methyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 823415
5-[1,3-dioxo-2-[4-[(E)-3-phenylprop-2-enoyl]phenyl]isoindole-5-carbonyl]-2-[4-[(E)-3-phenylprop-2-enoyl]phenyl]isoindole-1,3-dione
CID 46501018
5-(4-fluorobenzoyl)-2-[4-[5-(4-fluorobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 102076477
2-(4-anilinophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 5214128
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
3-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684
5-(1,3-dioxoisoindole-5-carbonyl)-2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 100990572

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid?
The IUPAC name of 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid (CID 57076792) is 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid.
What is the SMILES notation for 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid?
The canonical SMILES for 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid is O=C(c1ccc(C(=O)O)c(C(=O)O)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid?
The InChIKey is ZPUOOCBZASURTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NO7/c25-19(13-7-9-16(22(28)29)18(11-13)23(30)31)12-6-8-15-17(10-12)21(27)24(20(15)26)14-4-2-1-3-5-14/h1-11H,(H,28,29)(H,30,31).
What are the key properties of 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid?
4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid has a molecular weight of 415.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid is sourced from PubChem (CID 57076792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).