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

C23H13N3O6 — CID 2853629

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O
InChIInChI=1S/C23H13N3O6/c27-18-8-4-3-7-17(18)24-19(28)12-9-10-15-16(11-12)23(32)26(22(15)31)25-20(29)13-5-1-2-6-14(13)21(25)30/h1-11,27H,(H,24,28)
InChIKeyBADRHNYIVGOUIM-UHFFFAOYSA-N
MW427.37 g/mol
LogP2.45
Rot. Bonds3

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

2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 2853629) 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-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID2853629
Molecular FormulaC23H13N3O6
Molecular Weight427.37 g/mol
Exact Mass427.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O
InChIInChI=1S/C23H13N3O6/c27-18-8-4-3-7-17(18)24-19(28)12-9-10-15-16(11-12)23(32)26(22(15)31)25-20(29)13-5-1-2-6-14(13)21(25)30/h1-11,27H,(H,24,28)
InChIKeyBADRHNYIVGOUIM-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 2853629) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BADRHNYIVGOUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N3O6/c27-18-8-4-3-7-17(18)24-19(28)12-9-10-15-16(11-12)23(32)26(22(15)31)25-20(29)13-5-1-2-6-14(13)21(25)30/h1-11,27H,(H,24,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-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-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 2853629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).