[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate

C13H13FN2O4 — CID 8612963

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C13H13FN2O4/c14-10-3-1-9(2-4-10)7-12(18)20-8-11(17)16-6-5-15-13(16)19/h1-4H,5-8H2,(H,15,19)
InChIKeyLHUZBJSEVMGOAP-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.46
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate (PubChem CID 8612963) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
PubChem CID8612963
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C13H13FN2O4/c14-10-3-1-9(2-4-10)7-12(18)20-8-11(17)16-6-5-15-13(16)19/h1-4H,5-8H2,(H,15,19)
InChIKeyLHUZBJSEVMGOAP-UHFFFAOYSA-N
XLogP0.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate (CID 8612963) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate is O=C(Cc1ccc(F)cc1)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is LHUZBJSEVMGOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c14-10-3-1-9(2-4-10)7-12(18)20-8-11(17)16-6-5-15-13(16)19/h1-4H,5-8H2,(H,15,19).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 280.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 8612963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).