ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

C25H26FN3O5 — CID 45489300

IUPACethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)c1
InChIInChI=1S/C25H26FN3O5/c1-2-34-24(32)16-6-5-7-18(14-16)27-22(30)15-21-23(31)29(20-12-10-17(26)11-13-20)25(33)28(21)19-8-3-4-9-19/h5-7,10-14,19,21H,2-4,8-9,15H2,1H3,(H,27,30)
InChIKeyXAOUHPHPRFKGBA-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.11
Rot. Bonds7

About ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (PubChem CID 45489300) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
PubChem CID45489300
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Nameethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)c1
InChIInChI=1S/C25H26FN3O5/c1-2-34-24(32)16-6-5-7-18(14-16)27-22(30)15-21-23(31)29(20-12-10-17(26)11-13-20)25(33)28(21)19-8-3-4-9-19/h5-7,10-14,19,21H,2-4,8-9,15H2,1H3,(H,27,30)
InChIKeyXAOUHPHPRFKGBA-UHFFFAOYSA-N
XLogP4.11
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

Methyl 3-{[(2-{1-[(3,5-dimethylanilino)carbonyl]-3-oxo-2-piperazinyl}acetyl)amino]methyl}benzoate
CID 2814472
Dimethyl 5-[({1-[(4-fluorophenyl)carbonyl]-3-oxopiperazin-2-yl}acetyl)amino]benzene-1,3-dicarboxylate
CID 3969534
Ethyl 3-{2-[1-(4-chlorophenyl)-3-cyclopentyl-2,5-dioxoimidazolidin-4-YL]acetamido}benzoate
CID 16021888
2-{[1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carbonyl]-amino}-benzoic acid methyl ester
CID 644842
Ethyl 4-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 2574766
Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215
Ethyl 4-(3-{[1-(4-fluorobenzoyl)-4-piperidinyl]amino}-2,5-dioxo-1-pyrrolidinyl)benzoate
CID 2978674
Methyl 4-({[1-(4-methylphenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl}amino)benzoate
CID 2984196
Ethyl 2-[[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate
CID 2998417
ethyl 3-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate
CID 3241336
Ethyl 4-({[3-(4-methylbenzyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate
CID 3330298
Ethyl 2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7822112

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (CID 45489300) is ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)c1.
What is the InChIKey of ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The InChIKey is XAOUHPHPRFKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-2-34-24(32)16-6-5-7-18(14-16)27-22(30)15-21-23(31)29(20-12-10-17(26)11-13-20)25(33)28(21)19-8-3-4-9-19/h5-7,10-14,19,21H,2-4,8-9,15H2,1H3,(H,27,30).
What are the key properties of ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate has a molecular weight of 467.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 45489300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).