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

C17H14N2O3 — CID 721301

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O3/c1-11-6-2-5-9-14(11)18-15(20)10-19-16(21)12-7-3-4-8-13(12)17(19)22/h2-9H,10H2,1H3,(H,18,20)
InChIKeyOZERPSPIYIMTSH-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.23
Rot. Bonds3

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

2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide (PubChem CID 721301) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide
PubChem CID721301
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O3/c1-11-6-2-5-9-14(11)18-15(20)10-19-16(21)12-7-3-4-8-13(12)17(19)22/h2-9H,10H2,1H3,(H,18,20)
InChIKeyOZERPSPIYIMTSH-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide (CID 721301) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is OZERPSPIYIMTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-6-2-5-9-14(11)18-15(20)10-19-16(21)12-7-3-4-8-13(12)17(19)22/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 721301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).