1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione

C13H10F2N2O5 — CID 7757192

IUPAC1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(=O)c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C13H10F2N2O5/c1-16-10(19)11(20)17(13(16)21)6-9(18)7-2-4-8(5-3-7)22-12(14)15/h2-5,12H,6H2,1H3
InChIKeyGDADBSRVGWOWDB-UHFFFAOYSA-N
MW312.23 g/mol
LogP0.89
Rot. Bonds5

About 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione

1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 7757192) has the molecular formula C13H10F2N2O5 and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID7757192
Molecular FormulaC13H10F2N2O5
Molecular Weight312.23 g/mol
Exact Mass312.06
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(=O)c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C13H10F2N2O5/c1-16-10(19)11(20)17(13(16)21)6-9(18)7-2-4-8(5-3-7)22-12(14)15/h2-5,12H,6H2,1H3
InChIKeyGDADBSRVGWOWDB-UHFFFAOYSA-N
XLogP0.89
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 50.89
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

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2498787
(5S)-3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595850
3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180964
methyl 4-[4-(difluoromethoxy)phenyl]-2,4-dioxobutanoate
CID 17024669
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342048
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[4-(difluoromethoxy)phenyl]ethanone
CID 114982046
1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 6363229
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(difluoromethoxy)benzoate
CID 2629528
1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062635
1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-nitropyridin-2-one
CID 41174320
4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 96506947
1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
CID 55463619

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione (CID 7757192) is 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(CC(=O)c2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is GDADBSRVGWOWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O5/c1-16-10(19)11(20)17(13(16)21)6-9(18)7-2-4-8(5-3-7)22-12(14)15/h2-5,12H,6H2,1H3.
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 312.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7757192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).