5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide

C28H19N3O6 — CID 3500672

IUPAC5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1O)c1cc(C(=O)Nc2ccccc2O)cc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C28H19N3O6/c32-23-11-5-3-9-21(23)29-25(34)16-13-17(26(35)30-22-10-4-6-12-24(22)33)15-18(14-16)31-27(36)19-7-1-2-8-20(19)28(31)37/h1-15,32-33H,(H,29,34)(H,30,35)
InChIKeyXGZOQVHPFGOQRX-UHFFFAOYSA-N
MW493.48 g/mol
LogP4.40
Rot. Bonds5

About 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide

5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 3500672) has the molecular formula C28H19N3O6 and a molecular weight of 493.48 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide
PubChem CID3500672
Molecular FormulaC28H19N3O6
Molecular Weight493.48 g/mol
Exact Mass493.13
IUPAC Name5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1O)c1cc(C(=O)Nc2ccccc2O)cc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C28H19N3O6/c32-23-11-5-3-9-21(23)29-25(34)16-13-17(26(35)30-22-10-4-6-12-24(22)33)15-18(14-16)31-27(36)19-7-1-2-8-20(19)28(31)37/h1-15,32-33H,(H,29,34)(H,30,35)
InChIKeyXGZOQVHPFGOQRX-UHFFFAOYSA-N
XLogP4.40
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 54.40
H-Bond Donors ≤ 54
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 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide (CID 3500672) is 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccccc1O)c1cc(C(=O)Nc2ccccc2O)cc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is XGZOQVHPFGOQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O6/c32-23-11-5-3-9-21(23)29-25(34)16-13-17(26(35)30-22-10-4-6-12-24(22)33)15-18(14-16)31-27(36)19-7-1-2-8-20(19)28(31)37/h1-15,32-33H,(H,29,34)(H,30,35).
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide?
5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 493.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 3500672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).