1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

C15H14F2N2O4 — CID 7837485

IUPAC1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C15H14F2N2O4/c1-8(2)6-18-13(21)14(22)19(15(18)23)7-12(20)9-3-4-10(16)11(17)5-9/h3-5,8H,6-7H2,1-2H3
InChIKeyPEXOSBFTGJVBGZ-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (PubChem CID 7837485) has the molecular formula C15H14F2N2O4 and a molecular weight of 324.28 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
PubChem CID7837485
Molecular FormulaC15H14F2N2O4
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C15H14F2N2O4/c1-8(2)6-18-13(21)14(22)19(15(18)23)7-12(20)9-3-4-10(16)11(17)5-9/h3-5,8H,6-7H2,1-2H3
InChIKeyPEXOSBFTGJVBGZ-UHFFFAOYSA-N
XLogP1.59
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.59
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

1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 2574464
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 60624816
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 8597488
N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8888905
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
1-[2-(3,4-difluorophenyl)-2-oxoethyl]azepane-2,7-dione
CID 62023044
2-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513704
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811
1-[2-(3,4-difluorophenyl)-2-oxoethyl]piperidin-4-one
CID 62050662
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
1-(3,4-difluorophenyl)pentane-1,3-dione
CID 23234486
5-(4-chlorophenyl)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42897860

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (CID 7837485) is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is PEXOSBFTGJVBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4/c1-8(2)6-18-13(21)14(22)19(15(18)23)7-12(20)9-3-4-10(16)11(17)5-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 324.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 7837485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).