1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione

C13H10Cl2N2O4 — CID 7824114

IUPAC1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H10Cl2N2O4/c1-2-16-11(19)12(20)17(13(16)21)6-10(18)8-4-3-7(14)5-9(8)15/h3-5H,2,6H2,1H3
InChIKeyREIZSDSSJCGCQK-UHFFFAOYSA-N
MW329.14 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione

1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione (PubChem CID 7824114) has the molecular formula C13H10Cl2N2O4 and a molecular weight of 329.14 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
PubChem CID7824114
Molecular FormulaC13H10Cl2N2O4
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H10Cl2N2O4/c1-2-16-11(19)12(20)17(13(16)21)6-10(18)8-4-3-7(14)5-9(8)15/h3-5H,2,6H2,1H3
InChIKeyREIZSDSSJCGCQK-UHFFFAOYSA-N
XLogP1.99
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 51.99
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-dichlorophenyl)hexan-1-one
CID 57230005
1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 60623690
1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7824094
methyl 6-(2,4-dichlorophenyl)-6-oxohexanoate
CID 146009606
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2452438
4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one
CID 166162766
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 7824204
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
1-(2,4-dichlorophenyl)-3-methylsulfonylpropan-1-one
CID 114969550
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
1-[2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,2,4-triazol-3-yl]propan-1-one
CID 10935864
2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one
CID 62024728

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione (CID 7824114) is 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CC(=O)c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
The InChIKey is REIZSDSSJCGCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4/c1-2-16-11(19)12(20)17(13(16)21)6-10(18)8-4-3-7(14)5-9(8)15/h3-5H,2,6H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione has a molecular weight of 329.14 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7824114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).