[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

C21H19F3N2O4 — CID 55445207

IUPAC[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C21H19F3N2O4/c1-2-20(15-6-4-3-5-7-15)18(28)26(19(29)25-20)12-17(27)30-13-14-8-10-16(11-9-14)21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,29)
InChIKeyAGOPWYDGWFXTTN-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.61
Rot. Bonds6

About [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (PubChem CID 55445207) has the molecular formula C21H19F3N2O4 and a molecular weight of 420.39 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
PubChem CID55445207
Molecular FormulaC21H19F3N2O4
Molecular Weight420.39 g/mol
Exact Mass420.13
IUPAC Name[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C21H19F3N2O4/c1-2-20(15-6-4-3-5-7-15)18(28)26(19(29)25-20)12-17(27)30-13-14-8-10-16(11-9-14)21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,29)
InChIKeyAGOPWYDGWFXTTN-UHFFFAOYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8894074
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309960
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
5-ethyl-5-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46644860
[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 41170271
(4-phenylphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794225
(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 9170354
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
4-ethyl-N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]benzohydrazide
CID 24978772
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (CID 55445207) is [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is CCC1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The InChIKey is AGOPWYDGWFXTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4/c1-2-20(15-6-4-3-5-7-15)18(28)26(19(29)25-20)12-17(27)30-13-14-8-10-16(11-9-14)21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,29).
What are the key properties of [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate has a molecular weight of 420.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 55445207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).