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

C22H22Cl2FN3O3 — CID 46670398

IUPAC2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C22H22Cl2FN3O3/c1-12(2)19(13-4-7-15(25)8-5-13)26-18(29)11-28-20(30)22(3,27-21(28)31)14-6-9-16(23)17(24)10-14/h4-10,12,19H,11H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyUAGJHHOOBMCWTQ-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.41
Rot. Bonds6

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

2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 46670398) has the molecular formula C22H22Cl2FN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID46670398
Molecular FormulaC22H22Cl2FN3O3
Molecular Weight466.34 g/mol
Exact Mass465.10
IUPAC Name2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C22H22Cl2FN3O3/c1-12(2)19(13-4-7-15(25)8-5-13)26-18(29)11-28-20(30)22(3,27-21(28)31)14-6-9-16(23)17(24)10-14/h4-10,12,19H,11H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyUAGJHHOOBMCWTQ-UHFFFAOYSA-N
XLogP4.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.41
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

N-[1-(4-chlorophenyl)-2-methylpropyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46525783
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55434764
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 47094404
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 51214124
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579
2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 25496373
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2583056
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 55481097
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46638763
2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 40920223
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46665792
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46665832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (CID 46670398) is 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is CC(C)C(NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is UAGJHHOOBMCWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2FN3O3/c1-12(2)19(13-4-7-15(25)8-5-13)26-18(29)11-28-20(30)22(3,27-21(28)31)14-6-9-16(23)17(24)10-14/h4-10,12,19H,11H2,1-3H3,(H,26,29)(H,27,31).
What are the key properties of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 466.34 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 46670398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).