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

C21H21F2N3O3 — CID 7620041

IUPAC2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C21H21F2N3O3/c1-2-3-11-21(14-7-9-15(22)10-8-14)19(28)26(20(29)25-21)13-18(27)24-17-6-4-5-16(23)12-17/h4-10,12H,2-3,11,13H2,1H3,(H,24,27)(H,25,29)/t21-/m1/s1
InChIKeyIJXDWDOFZVGSPT-OAQYLSRUSA-N
MW401.41 g/mol
LogP3.54
Rot. Bonds7

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

2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 7620041) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID7620041
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC Name2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C21H21F2N3O3/c1-2-3-11-21(14-7-9-15(22)10-8-14)19(28)26(20(29)25-21)13-18(27)24-17-6-4-5-16(23)12-17/h4-10,12H,2-3,11,13H2,1H3,(H,24,27)(H,25,29)/t21-/m1/s1
InChIKeyIJXDWDOFZVGSPT-OAQYLSRUSA-N
XLogP3.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.54
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-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 7621709
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41071388
3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid
CID 16958374
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567523
(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7595557
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 7622092
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide (CID 7620041) is 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide is CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O.
What is the InChIKey of 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is IJXDWDOFZVGSPT-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-2-3-11-21(14-7-9-15(22)10-8-14)19(28)26(20(29)25-21)13-18(27)24-17-6-4-5-16(23)12-17/h4-10,12H,2-3,11,13H2,1H3,(H,24,27)(H,25,29)/t21-/m1/s1.
What are the key properties of 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 401.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 7620041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).