3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid

C12H9FN2O4 — CID 54218719

IUPAC3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid
SMILESO=C(O)C=CC1(c2cccc(F)c2)NC(=O)NC1=O
InChIInChI=1S/C12H9FN2O4/c13-8-3-1-2-7(6-8)12(5-4-9(16)17)10(18)14-11(19)15-12/h1-6H,(H,16,17)(H2,14,15,18,19)
InChIKeyQBAICOCVBOBECG-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.50
Rot. Bonds3

About 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid

3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid (PubChem CID 54218719) has the molecular formula C12H9FN2O4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid
PubChem CID54218719
Molecular FormulaC12H9FN2O4
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid
SMILESO=C(O)C=CC1(c2cccc(F)c2)NC(=O)NC1=O
InChIInChI=1S/C12H9FN2O4/c13-8-3-1-2-7(6-8)12(5-4-9(16)17)10(18)14-11(19)15-12/h1-6H,(H,16,17)(H2,14,15,18,19)
InChIKeyQBAICOCVBOBECG-UHFFFAOYSA-N
XLogP0.50
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid?
The IUPAC name of 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid (CID 54218719) is 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid is O=C(O)C=CC1(c2cccc(F)c2)NC(=O)NC1=O.
What is the InChIKey of 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid?
The InChIKey is QBAICOCVBOBECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4/c13-8-3-1-2-7(6-8)12(5-4-9(16)17)10(18)14-11(19)15-12/h1-6H,(H,16,17)(H2,14,15,18,19).
What are the key properties of 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid?
3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid has a molecular weight of 264.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid is sourced from PubChem (CID 54218719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).