4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione

C26H20N2O4 — CID 91896717

IUPAC4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccc2)C(c2ccncc2)C1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C26H20N2O4/c29-24(21-16-19-8-4-5-9-20(19)32-21)22-23(18-10-13-27-14-11-18)28(26(31)25(22)30)15-12-17-6-2-1-3-7-17/h1-11,13-14,16,22-23H,12,15H2
InChIKeyRNYAJCUSBIPWGN-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.02
Rot. Bonds6

About 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione

4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione (PubChem CID 91896717) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
PubChem CID91896717
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccc2)C(c2ccncc2)C1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C26H20N2O4/c29-24(21-16-19-8-4-5-9-20(19)32-21)22-23(18-10-13-27-14-11-18)28(26(31)25(22)30)15-12-17-6-2-1-3-7-17/h1-11,13-14,16,22-23H,12,15H2
InChIKeyRNYAJCUSBIPWGN-UHFFFAOYSA-N
XLogP4.02
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 91897632
4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 91896461
3-(1-benzofuran-2-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594310
methyl 4-[3-acetyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-2-yl]benzoate
CID 123173786
4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 91897640
4-acetyl-5-(3,4-dichlorophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
CID 91447840
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3319406
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 3318083
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635019
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 3319401
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3311203
2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium
CID 7447973

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione (CID 91896717) is 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione is O=C1C(=O)N(CCc2ccccc2)C(c2ccncc2)C1C(=O)c1cc2ccccc2o1.
What is the InChIKey of 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione?
The InChIKey is RNYAJCUSBIPWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c29-24(21-16-19-8-4-5-9-20(19)32-21)22-23(18-10-13-27-14-11-18)28(26(31)25(22)30)15-12-17-6-2-1-3-7-17/h1-11,13-14,16,22-23H,12,15H2.
What are the key properties of 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione?
4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione has a molecular weight of 424.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 91896717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).