[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C18H21FN2O5 — CID 47093841

IUPAC[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OC(C)C(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H21FN2O5/c1-4-18(5-2)16(24)21(17(25)20-18)10-14(22)26-11(3)15(23)12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,20,25)
InChIKeyMZXDOODBKYYEGG-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.05
Rot. Bonds7

About [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 47093841) has the molecular formula C18H21FN2O5 and a molecular weight of 364.37 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID47093841
Molecular FormulaC18H21FN2O5
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OC(C)C(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H21FN2O5/c1-4-18(5-2)16(24)21(17(25)20-18)10-14(22)26-11(3)15(23)12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,20,25)
InChIKeyMZXDOODBKYYEGG-UHFFFAOYSA-N
XLogP2.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691261
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691299
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710699
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691269
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951318
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822176
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821918
5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione
CID 160817849
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 51473993
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691295
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 51214124
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691303

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 47093841) is [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OC(C)C(=O)c2ccc(F)cc2)C1=O.
What is the InChIKey of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is MZXDOODBKYYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5/c1-4-18(5-2)16(24)21(17(25)20-18)10-14(22)26-11(3)15(23)12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,20,25).
What are the key properties of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 364.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 47093841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).