N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide

C16H12N2O4 — CID 786842

IUPACN-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O4/c19-14(10-22-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(18)21/h1-9H,10H2,(H,17,19)
InChIKeyWEGZEFDFJHZAGH-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.39
Rot. Bonds4

About N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide

N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide (PubChem CID 786842) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide
PubChem CID786842
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O4/c19-14(10-22-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(18)21/h1-9H,10H2,(H,17,19)
InChIKeyWEGZEFDFJHZAGH-UHFFFAOYSA-N
XLogP1.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
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 N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide (CID 786842) is N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide?
The InChIKey is WEGZEFDFJHZAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14(10-22-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(18)21/h1-9H,10H2,(H,17,19).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide?
N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide has a molecular weight of 296.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 786842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).