5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione

C16H19FN2O3 — CID 160817849

IUPAC5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H19FN2O3/c1-3-16(4-2)14(21)19(15(22)18-16)10-13(20)9-11-5-7-12(17)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)
InChIKeySFDHZBHEXJIZGP-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.05
Rot. Bonds6

About 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione

5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione (PubChem CID 160817849) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione
PubChem CID160817849
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H19FN2O3/c1-3-16(4-2)14(21)19(15(22)18-16)10-13(20)9-11-5-7-12(17)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)
InChIKeySFDHZBHEXJIZGP-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.05
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

N-cyclohexyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 7568278
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 47093841
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 51214124
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691299
1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione
CID 79507232
3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione
CID 18776959
(3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691245
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691261
methyl 4-[[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]benzoate
CID 7181118
N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119549201
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione (CID 160817849) is 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is SFDHZBHEXJIZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-3-16(4-2)14(21)19(15(22)18-16)10-13(20)9-11-5-7-12(17)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,22).
What are the key properties of 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 306.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 160817849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).