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'}

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

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

Launch Full Analysis

Related Compounds

2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid
CID 68618799
ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate
CID 101045340
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanoic acid
CID 103979257
2-(6-fluoro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid
CID 82142720
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
(2S)-2-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butanoic acid
CID 129401525
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 68619325
(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]butanoic acid
CID 98146819
(2S)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]butanoic acid
CID 98146818
N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 71080704
3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 68618416

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).