[2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C15H16FN3O5 — CID 2403639

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C15H16FN3O5/c1-15(2)13(22)19(14(23)18-15)7-12(21)24-8-11(20)17-10-5-3-4-9(16)6-10/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,23)
InChIKeyXIQZXWFXFPYOFL-UHFFFAOYSA-N
MW337.31 g/mol
LogP0.64
Rot. Bonds5

About [2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2403639) has the molecular formula C15H16FN3O5 and a molecular weight of 337.31 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2403639
Molecular FormulaC15H16FN3O5
Molecular Weight337.31 g/mol
Exact Mass337.11
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C15H16FN3O5/c1-15(2)13(22)19(14(23)18-15)7-12(21)24-8-11(20)17-10-5-3-4-9(16)6-10/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,23)
InChIKeyXIQZXWFXFPYOFL-UHFFFAOYSA-N
XLogP0.64
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
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-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2403639) is [2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(F)c2)C1=O.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is XIQZXWFXFPYOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O5/c1-15(2)13(22)19(14(23)18-15)7-12(21)24-8-11(20)17-10-5-3-4-9(16)6-10/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,23).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 337.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2403639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).