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

C15H15FN2O5 — CID 7209840

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H15FN2O5/c1-15(2)13(21)18(14(22)17-15)7-12(20)23-8-11(19)9-3-5-10(16)6-4-9/h3-6H,7-8H2,1-2H3,(H,17,22)
InChIKeyDGDHTQBBWQVGEN-UHFFFAOYSA-N
MW322.29 g/mol
LogP0.88
Rot. Bonds5

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

[2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7209840) has the molecular formula C15H15FN2O5 and a molecular weight of 322.29 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7209840
Molecular FormulaC15H15FN2O5
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H15FN2O5/c1-15(2)13(21)18(14(22)17-15)7-12(20)23-8-11(19)9-3-5-10(16)6-4-9/h3-6H,7-8H2,1-2H3,(H,17,22)
InChIKeyDGDHTQBBWQVGEN-UHFFFAOYSA-N
XLogP0.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7209840) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(F)cc2)C1=O.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is DGDHTQBBWQVGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5/c1-15(2)13(21)18(14(22)17-15)7-12(20)23-8-11(19)9-3-5-10(16)6-4-9/h3-6H,7-8H2,1-2H3,(H,17,22).
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 322.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7209840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).