N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C23H26FN3O4 — CID 17118454

IUPACN-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CC(C)C)cc1
InChIInChI=1S/C23H26FN3O4/c1-4-31-19-11-7-17(8-12-19)25-21(28)13-20-22(29)27(18-9-5-16(24)6-10-18)23(30)26(20)14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,25,28)
InChIKeyZMZNKHWHBJVDIN-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.05
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 17118454) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID17118454
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC NameN-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CC(C)C)cc1
InChIInChI=1S/C23H26FN3O4/c1-4-31-19-11-7-17(8-12-19)25-21(28)13-20-22(29)27(18-9-5-16(24)6-10-18)23(30)26(20)14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,25,28)
InChIKeyZMZNKHWHBJVDIN-UHFFFAOYSA-N
XLogP4.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.05
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

N-(4-ethoxyphenyl)-2-[(4S)-1-(4-methylphenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701800
ethyl 4-[[2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 46276980
N-(4-chlorophenyl)-2-[(4R)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92690531
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92690485
2-[(4S)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284608
2-[(4R)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284607
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4917871
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide
CID 92666410
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5296381
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 4568240
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3662990
N-(4-ethoxyphenyl)-2-[(4R)-3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7324051

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 17118454) is N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CC(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is ZMZNKHWHBJVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-4-31-19-11-7-17(8-12-19)25-21(28)13-20-22(29)27(18-9-5-16(24)6-10-18)23(30)26(20)14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 427.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 17118454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).