1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione

C21H19FN2O2 — CID 4056093

IUPAC1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c22-17-6-8-18(9-7-17)24-20(25)14-19(21(24)26)23-12-10-16(11-13-23)15-4-2-1-3-5-15/h1-10,19H,11-14H2
InChIKeyVWTOSXUXBGBNHP-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.25
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione (PubChem CID 4056093) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione
PubChem CID4056093
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c22-17-6-8-18(9-7-17)24-20(25)14-19(21(24)26)23-12-10-16(11-13-23)15-4-2-1-3-5-15/h1-10,19H,11-14H2
InChIKeyVWTOSXUXBGBNHP-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
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 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione (CID 4056093) is 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is VWTOSXUXBGBNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-17-6-8-18(9-7-17)24-20(25)14-19(21(24)26)23-12-10-16(11-13-23)15-4-2-1-3-5-15/h1-10,19H,11-14H2.
What are the key properties of 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 350.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4056093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).