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

C16H12N2O3 — CID 809038

IUPACN-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O3/c19-14(10-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(18)21/h1-9H,10H2,(H,17,19)
InChIKeyGECBRYOXGAPTBT-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.56
Rot. Bonds3

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

N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide (PubChem CID 809038) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide
PubChem CID809038
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O3/c19-14(10-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(18)21/h1-9H,10H2,(H,17,19)
InChIKeyGECBRYOXGAPTBT-UHFFFAOYSA-N
XLogP1.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.56
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 N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide (CID 809038) is N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide is O=C(Cc1ccccc1)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide?
The InChIKey is GECBRYOXGAPTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-14(10-11-6-2-1-3-7-11)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-phenylacetamide?
N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide has a molecular weight of 280.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 809038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).