1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione

C17H16FNO3 — CID 2940104

IUPAC1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C17H16FNO3/c18-13-5-3-12(4-6-13)14(15-2-1-11-22-15)9-10-19-16(20)7-8-17(19)21/h1-6,11,14H,7-10H2
InChIKeyAMNNHLHOSYNOFT-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.09
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione

1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione (PubChem CID 2940104) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione
PubChem CID2940104
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C17H16FNO3/c18-13-5-3-12(4-6-13)14(15-2-1-11-22-15)9-10-19-16(20)7-8-17(19)21/h1-6,11,14H,7-10H2
InChIKeyAMNNHLHOSYNOFT-UHFFFAOYSA-N
XLogP3.09
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.09
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-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione (CID 2940104) is 1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCC(c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione?
The InChIKey is AMNNHLHOSYNOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-13-5-3-12(4-6-13)14(15-2-1-11-22-15)9-10-19-16(20)7-8-17(19)21/h1-6,11,14H,7-10H2.
What are the key properties of 1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione?
1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione has a molecular weight of 301.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2940104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).