2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid

C11H9FN2O4 — CID 63646933

IUPAC2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H9FN2O4/c12-7-3-1-2-4-8(7)14-9(15)5-13(11(14)18)6-10(16)17/h1-4H,5-6H2,(H,16,17)
InChIKeySCPJKXXRYHXILL-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.68
Rot. Bonds3

About 2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid

2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 63646933) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
PubChem CID63646933
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H9FN2O4/c12-7-3-1-2-4-8(7)14-9(15)5-13(11(14)18)6-10(16)17/h1-4H,5-6H2,(H,16,17)
InChIKeySCPJKXXRYHXILL-UHFFFAOYSA-N
XLogP0.68
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
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-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid (CID 63646933) is 2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid is O=C(O)CN1CC(=O)N(c2ccccc2F)C1=O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is SCPJKXXRYHXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c12-7-3-1-2-4-8(7)14-9(15)5-13(11(14)18)6-10(16)17/h1-4H,5-6H2,(H,16,17).
What are the key properties of 2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid?
2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 252.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 63646933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).