2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide

C16H12N2O4 — CID 741524

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(O)c1
InChIInChI=1S/C16H12N2O4/c19-11-5-3-4-10(8-11)17-14(20)9-18-15(21)12-6-1-2-7-13(12)16(18)22/h1-8,19H,9H2,(H,17,20)
InChIKeyJJTRIVHELDYMJE-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.63
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide (PubChem CID 741524) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide
PubChem CID741524
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(O)c1
InChIInChI=1S/C16H12N2O4/c19-11-5-3-4-10(8-11)17-14(20)9-18-15(21)12-6-1-2-7-13(12)16(18)22/h1-8,19H,9H2,(H,17,20)
InChIKeyJJTRIVHELDYMJE-UHFFFAOYSA-N
XLogP1.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide (CID 741524) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(O)c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide?
The InChIKey is JJTRIVHELDYMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-11-5-3-4-10(8-11)17-14(20)9-18-15(21)12-6-1-2-7-13(12)16(18)22/h1-8,19H,9H2,(H,17,20).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide has a molecular weight of 296.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 741524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).