2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid

C13H13FN2O4 — CID 82148105

IUPAC2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1C(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-2-9(12(18)19)16-11(17)10(15-13(16)20)7-3-5-8(14)6-4-7/h3-6,9-10H,2H2,1H3,(H,15,20)(H,18,19)
InChIKeyZORNGWLPUOMVNL-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.28
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid

2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid (PubChem CID 82148105) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid
PubChem CID82148105
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1C(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-2-9(12(18)19)16-11(17)10(15-13(16)20)7-3-5-8(14)6-4-7/h3-6,9-10H,2H2,1H3,(H,15,20)(H,18,19)
InChIKeyZORNGWLPUOMVNL-UHFFFAOYSA-N
XLogP1.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid (CID 82148105) is 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid is CCC(C(=O)O)N1C(=O)NC(c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid?
The InChIKey is ZORNGWLPUOMVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-2-9(12(18)19)16-11(17)10(15-13(16)20)7-3-5-8(14)6-4-7/h3-6,9-10H,2H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid?
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid has a molecular weight of 280.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid is sourced from PubChem (CID 82148105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).