2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

C27H26ClN3O4 — CID 4030854

IUPAC2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C27H26ClN3O4/c1-2-35-23-14-10-21(11-15-23)29-25(32)18-24-26(33)31(22-12-8-20(28)9-13-22)27(34)30(24)17-16-19-6-4-3-5-7-19/h3-15,24H,2,16-18H2,1H3,(H,29,32)
InChIKeySATIGRKYKOBORS-UHFFFAOYSA-N
MW491.98 g/mol
LogP5.15
Rot. Bonds9

About 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 4030854) has the molecular formula C27H26ClN3O4 and a molecular weight of 491.98 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID4030854
Molecular FormulaC27H26ClN3O4
Molecular Weight491.98 g/mol
Exact Mass491.16
IUPAC Name2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C27H26ClN3O4/c1-2-35-23-14-10-21(11-15-23)29-25(32)18-24-26(33)31(22-12-8-20(28)9-13-22)27(34)30(24)17-16-19-6-4-3-5-7-19/h3-15,24H,2,16-18H2,1H3,(H,29,32)
InChIKeySATIGRKYKOBORS-UHFFFAOYSA-N
XLogP5.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.98
LogP ≤ 55.15
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

2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41140598
2-[3-[2-(4-chlorophenyl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3531785
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701853
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 28776817
N-(4-ethoxyphenyl)-2-[(4R)-5-oxo-1-phenyl-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 41222162
2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 28701835
2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40774817
2-[(4S)-3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 98182740
2-[1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 5098737
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 4568240
N-(4-ethoxyphenyl)-2-[(4R)-3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7324051
methyl 2-[(5R)-3-(4-chlorophenyl)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 40971357

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (CID 4030854) is 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is SATIGRKYKOBORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O4/c1-2-35-23-14-10-21(11-15-23)29-25(32)18-24-26(33)31(22-12-8-20(28)9-13-22)27(34)30(24)17-16-19-6-4-3-5-7-19/h3-15,24H,2,16-18H2,1H3,(H,29,32).
What are the key properties of 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 491.98 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 4030854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).