3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione

C11H9FN2O3 — CID 55027475

IUPAC3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)9(15)6-14-10(16)5-13-11(14)17/h1-4H,5-6H2,(H,13,17)
InChIKeyXOILTMWLHCVFBY-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.56
Rot. Bonds3

About 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione

3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 55027475) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID55027475
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)9(15)6-14-10(16)5-13-11(14)17/h1-4H,5-6H2,(H,13,17)
InChIKeyXOILTMWLHCVFBY-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 55136659
4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3952636
1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 154069808
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
CID 72854238
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 86932561
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 97136714
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 97136715
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
3-(2,5-difluorophenyl)imidazolidine-2,4-dione
CID 14650513

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione (CID 55027475) is 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is XOILTMWLHCVFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)9(15)6-14-10(16)5-13-11(14)17/h1-4H,5-6H2,(H,13,17).
What are the key properties of 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 236.20 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55027475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).