2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide

C20H26FN3O3 — CID 7181289

IUPAC2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCC(C)CC2)C1=O
InChIInChI=1S/C20H26FN3O3/c1-3-20(14-6-8-15(21)9-7-14)18(26)24(19(27)23-20)12-17(25)22-16-10-4-13(2)5-11-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,22,25)(H,23,27)/t13?,16?,20-/m0/s1
InChIKeyRISYRGKAJROQED-SKMDKRRUSA-N
MW375.44 g/mol
LogP2.68
Rot. Bonds5

About 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide

2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 7181289) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID7181289
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCC(C)CC2)C1=O
InChIInChI=1S/C20H26FN3O3/c1-3-20(14-6-8-15(21)9-7-14)18(26)24(19(27)23-20)12-17(25)22-16-10-4-13(2)5-11-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,22,25)(H,23,27)/t13?,16?,20-/m0/s1
InChIKeyRISYRGKAJROQED-SKMDKRRUSA-N
XLogP2.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892741
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2584765
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7300103
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 55374709
N-(4-methylcyclohexyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7043085
N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7264595
N-(ethylcarbamoyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4814167
N-ethyl-2-[[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8571207
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 7043957
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7264499
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 7181289) is 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCC(C)CC2)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is RISYRGKAJROQED-SKMDKRRUSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-3-20(14-6-8-15(21)9-7-14)18(26)24(19(27)23-20)12-17(25)22-16-10-4-13(2)5-11-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,22,25)(H,23,27)/t13?,16?,20-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 375.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 7181289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).