ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate

C24H26ClFN2O5 — CID 170067836

IUPACethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(F)c(Cl)c3)C2=O)cc1C
InChIInChI=1S/C24H26ClFN2O5/c1-6-32-22(30)24(4,5)33-21-14(2)9-16(10-15(21)3)12-28-20(29)13-27(23(28)31)17-7-8-19(26)18(25)11-17/h7-11H,6,12-13H2,1-5H3
InChIKeyBGPDUIGARCRJQG-UHFFFAOYSA-N
MW476.93 g/mol
LogP4.79
Rot. Bonds7

About ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate

ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate (PubChem CID 170067836) has the molecular formula C24H26ClFN2O5 and a molecular weight of 476.93 g/mol. Its IUPAC name is ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
PubChem CID170067836
Molecular FormulaC24H26ClFN2O5
Molecular Weight476.93 g/mol
Exact Mass476.15
IUPAC Nameethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(F)c(Cl)c3)C2=O)cc1C
InChIInChI=1S/C24H26ClFN2O5/c1-6-32-22(30)24(4,5)33-21-14(2)9-16(10-15(21)3)12-28-20(29)13-27(23(28)31)17-7-8-19(26)18(25)11-17/h7-11H,6,12-13H2,1-5H3
InChIKeyBGPDUIGARCRJQG-UHFFFAOYSA-N
XLogP4.79
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.93
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2,6-dimethyl-4-[[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 170066320
ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 170067260
ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 170066443
ethyl 2-[2,6-dimethyl-4-[[3-(4-methylthiophen-2-yl)-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 171773782
3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174303131
3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174302476
2-[4-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal
CID 170067262
ethyl 2-[4-[[3-(4-cyanophenyl)-2-hydroxy-5-oxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 170066376
ethyl (3R)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075857
2-[2-chloro-4-[[2,5-dioxo-3-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazolidin-1-yl]methyl]-6-fluorophenoxy]-2-methylpropanoic acid
CID 174301704
ethyl 2-(2,6-dimethyl-4-sulfanylphenoxy)-2-methylpropanoate
CID 176907549
ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate
CID 155631420

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate (CID 170067836) is ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(F)c(Cl)c3)C2=O)cc1C.
What is the InChIKey of ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
The InChIKey is BGPDUIGARCRJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O5/c1-6-32-22(30)24(4,5)33-21-14(2)9-16(10-15(21)3)12-28-20(29)13-27(23(28)31)17-7-8-19(26)18(25)11-17/h7-11H,6,12-13H2,1-5H3.
What are the key properties of ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate has a molecular weight of 476.93 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate is sourced from PubChem (CID 170067836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).