2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide

C23H13N3O6 — CID 2867309

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O
InChIInChI=1S/C23H13N3O6/c27-14-8-6-13(7-9-14)24-19(28)12-5-10-17-18(11-12)23(32)26(22(17)31)25-20(29)15-3-1-2-4-16(15)21(25)30/h1-11,27H,(H,24,28)
InChIKeyBUIPZORSUGMAAU-UHFFFAOYSA-N
MW427.37 g/mol
LogP2.45
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 2867309) has the molecular formula C23H13N3O6 and a molecular weight of 427.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID2867309
Molecular FormulaC23H13N3O6
Molecular Weight427.37 g/mol
Exact Mass427.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O
InChIInChI=1S/C23H13N3O6/c27-14-8-6-13(7-9-14)24-19(28)12-5-10-17-18(11-12)23(32)26(22(17)31)25-20(29)15-3-1-2-4-16(15)21(25)30/h1-11,27H,(H,24,28)
InChIKeyBUIPZORSUGMAAU-UHFFFAOYSA-N
XLogP2.45
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-Bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 628572
N-(4-Hydroxyphenyl)Phthalimide
CID 252281
2-tert-butyl-N-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 698873
3-{[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid
CID 1217275
N-[4-(acetylamino)phenyl]-2-(4-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxamide
CID 1271232
3-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxyphenyl)benzamide
CID 17385733
N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 976324
N-(2-hydroxyphenyl)-1,3-dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 1117015
2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1332049
5,6-Bis-(4-hydroxy-phenylamino)-isoindole-1,3-dione
CID 10406267
N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 711475
N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1103399

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 2867309) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BUIPZORSUGMAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N3O6/c27-14-8-6-13(7-9-14)24-19(28)12-5-10-17-18(11-12)23(32)26(22(17)31)25-20(29)15-3-1-2-4-16(15)21(25)30/h1-11,27H,(H,24,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 427.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 2867309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).