N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

C21H20FN3O4 — CID 55482120

IUPACN-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C21H20FN3O4/c1-13(26)14-3-9-17(10-4-14)23-18(27)11-12-25-19(28)21(2,24-20(25)29)15-5-7-16(22)8-6-15/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyKPELDIGCERCIGC-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.82
Rot. Bonds6

About N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 55482120) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID55482120
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC NameN-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C21H20FN3O4/c1-13(26)14-3-9-17(10-4-14)23-18(27)11-12-25-19(28)21(2,24-20(25)29)15-5-7-16(22)8-6-15/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyKPELDIGCERCIGC-UHFFFAOYSA-N
XLogP2.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 51128509
N-(4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514635
N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514634
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
N-(4-acetylphenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801295
3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 51954629
N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801296
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2084864
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46671942
N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide
CID 46513573
N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide
CID 55863349
N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2620124

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (CID 55482120) is N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is CC(=O)c1ccc(NC(=O)CCN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is KPELDIGCERCIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-13(26)14-3-9-17(10-4-14)23-18(27)11-12-25-19(28)21(2,24-20(25)29)15-5-7-16(22)8-6-15/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 397.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 55482120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).