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

C13H13FN2O4 — CID 2566316

IUPAC1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(Cc2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-3-15-11(17)12(18)16(13(15)19)7-8-4-5-10(20-2)9(14)6-8/h4-6H,3,7H2,1-2H3
InChIKeyFBMLVMSEABQVBZ-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.14
Rot. Bonds4

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

1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 2566316) has the molecular formula C13H13FN2O4 and a molecular weight of 280.26 g/mol. Its IUPAC name is 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID2566316
Molecular FormulaC13H13FN2O4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Name1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(Cc2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-3-15-11(17)12(18)16(13(15)19)7-8-4-5-10(20-2)9(14)6-8/h4-6H,3,7H2,1-2H3
InChIKeyFBMLVMSEABQVBZ-UHFFFAOYSA-N
XLogP1.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Methoxyphenyl)imidazolidine-2,4-dione
CID 265445
1-((4-Methoxyphenyl)methyl)-1H-pyrrole-2,5-dione
CID 2737837
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2483511
(R)-1-(4-Methoxy-benzyl)-2-oxo-imidazolidine-4-carboxylic acid hydroxyamide
CID 12971984
3-[(4-Methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726679
Imidazolidine, 1,3-dimethyl-2-(p-methoxyphenyl)-
CID 31713
3-[(3-Fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4875234
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 4964233
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 9534713
(6Z)-1-amyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)-5,8-dihydro-2H-1,4-diazocin-3-one
CID 16746455
(4Z,10aS)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,6,8,9,10,10a-hexahydropyrrolo[1,2-a][1,4]diazocin-1-one
CID 53356608
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2527994

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione (CID 2566316) is 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(Cc2ccc(OC)c(F)c2)C1=O.
What is the InChIKey of 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is FBMLVMSEABQVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-3-15-11(17)12(18)16(13(15)19)7-8-4-5-10(20-2)9(14)6-8/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 280.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2566316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).