2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide

C21H14N2O4 — CID 89265424

IUPAC2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide
SMILESO=CCc1ccc(C(=O)C(=O)Nc2ccncc2)c2c1oc1ccccc12
InChIInChI=1S/C21H14N2O4/c24-12-9-13-5-6-16(18-15-3-1-2-4-17(15)27-20(13)18)19(25)21(26)23-14-7-10-22-11-8-14/h1-8,10-12H,9H2,(H,22,23,26)
InChIKeyLBNBVCHNIGVOBG-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.54
Rot. Bonds5

About 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide

2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide (PubChem CID 89265424) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide
PubChem CID89265424
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide
SMILESO=CCc1ccc(C(=O)C(=O)Nc2ccncc2)c2c1oc1ccccc12
InChIInChI=1S/C21H14N2O4/c24-12-9-13-5-6-16(18-15-3-1-2-4-17(15)27-20(13)18)19(25)21(26)23-14-7-10-22-11-8-14/h1-8,10-12H,9H2,(H,22,23,26)
InChIKeyLBNBVCHNIGVOBG-UHFFFAOYSA-N
XLogP3.54
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide (CID 89265424) is 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide is O=CCc1ccc(C(=O)C(=O)Nc2ccncc2)c2c1oc1ccccc12.
What is the InChIKey of 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide?
The InChIKey is LBNBVCHNIGVOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-12-9-13-5-6-16(18-15-3-1-2-4-17(15)27-20(13)18)19(25)21(26)23-14-7-10-22-11-8-14/h1-8,10-12H,9H2,(H,22,23,26).
What are the key properties of 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide?
2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide has a molecular weight of 358.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 89265424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).