1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione

C14H13FN2O5 — CID 7549299

IUPAC1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C14H13FN2O5/c1-3-16-12(19)13(20)17(14(16)21)7-10(18)8-4-5-11(22-2)9(15)6-8/h4-6H,3,7H2,1-2H3
InChIKeyUTEXRZYEOFGMAB-UHFFFAOYSA-N
MW308.27 g/mol
LogP0.83
Rot. Bonds5

About 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 7549299) has the molecular formula C14H13FN2O5 and a molecular weight of 308.27 g/mol. Its IUPAC name is 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID7549299
Molecular FormulaC14H13FN2O5
Molecular Weight308.27 g/mol
Exact Mass308.08
IUPAC Name1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C14H13FN2O5/c1-3-16-12(19)13(20)17(14(16)21)7-10(18)8-4-5-11(22-2)9(15)6-8/h4-6H,3,7H2,1-2H3
InChIKeyUTEXRZYEOFGMAB-UHFFFAOYSA-N
XLogP0.83
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 8607595
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 8607614
2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 8520452
(5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8522288
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 7837485
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 7824027
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62023747
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 8597488
1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62052732

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 7549299) is 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CC(=O)c2ccc(OC)c(F)c2)C1=O.
What is the InChIKey of 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is UTEXRZYEOFGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5/c1-3-16-12(19)13(20)17(14(16)21)7-10(18)8-4-5-11(22-2)9(15)6-8/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 308.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7549299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).