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

C13H11FN2O4 — CID 70400713

IUPAC2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid
SMILESC=C(CC1(c2cccc(F)c2)NC(=O)NC1=O)C(=O)O
InChIInChI=1S/C13H11FN2O4/c1-7(10(17)18)6-13(11(19)15-12(20)16-13)8-3-2-4-9(14)5-8/h2-5H,1,6H2,(H,17,18)(H2,15,16,19,20)
InChIKeyWCXCHBIRUVTNSS-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.89
Rot. Bonds4

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

2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid (PubChem CID 70400713) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid
PubChem CID70400713
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid
SMILESC=C(CC1(c2cccc(F)c2)NC(=O)NC1=O)C(=O)O
InChIInChI=1S/C13H11FN2O4/c1-7(10(17)18)6-13(11(19)15-12(20)16-13)8-3-2-4-9(14)5-8/h2-5H,1,6H2,(H,17,18)(H2,15,16,19,20)
InChIKeyWCXCHBIRUVTNSS-UHFFFAOYSA-N
XLogP0.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.89
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 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]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 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid (CID 70400713) is 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid is C=C(CC1(c2cccc(F)c2)NC(=O)NC1=O)C(=O)O.
What is the InChIKey of 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid?
The InChIKey is WCXCHBIRUVTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-7(10(17)18)6-13(11(19)15-12(20)16-13)8-3-2-4-9(14)5-8/h2-5H,1,6H2,(H,17,18)(H2,15,16,19,20).
What are the key properties of 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid?
2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid has a molecular weight of 278.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid is sourced from PubChem (CID 70400713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).