ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C13H13FN2O4 — CID 75366190

IUPACethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-2-20-10(17)7-16-12(18)11(15-13(16)19)8-3-5-9(14)6-4-8/h3-6,11H,2,7H2,1H3,(H,15,19)
InChIKeyQOAMNHIOLUGUSG-UHFFFAOYSA-N
MW280.26 g/mol
LogP0.98
Rot. Bonds4

About ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate

ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 75366190) has the molecular formula C13H13FN2O4 and a molecular weight of 280.26 g/mol. Its IUPAC name is ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID75366190
Molecular FormulaC13H13FN2O4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Nameethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-2-20-10(17)7-16-12(18)11(15-13(16)19)8-3-5-9(14)6-4-8/h3-6,11H,2,7H2,1H3,(H,15,19)
InChIKeyQOAMNHIOLUGUSG-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 75366190) is ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)NC(c2ccc(F)cc2)C1=O.
What is the InChIKey of ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is QOAMNHIOLUGUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-2-20-10(17)7-16-12(18)11(15-13(16)19)8-3-5-9(14)6-4-8/h3-6,11H,2,7H2,1H3,(H,15,19).
What are the key properties of ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 280.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 75366190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).