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

C19H16Cl2FN3O3 — CID 51954629

IUPAC3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
SMILESC[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H16Cl2FN3O3/c1-19(14-7-2-11(20)10-15(14)21)17(27)25(18(28)24-19)9-8-16(26)23-13-5-3-12(22)4-6-13/h2-7,10H,8-9H2,1H3,(H,23,26)(H,24,28)/t19-/m1/s1
InChIKeyPAHLRIKOLALRPM-LJQANCHMSA-N
MW424.26 g/mol
LogP3.93
Rot. Bonds5

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

3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 51954629) has the molecular formula C19H16Cl2FN3O3 and a molecular weight of 424.26 g/mol. Its IUPAC name is 3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
PubChem CID51954629
Molecular FormulaC19H16Cl2FN3O3
Molecular Weight424.26 g/mol
Exact Mass423.06
IUPAC Name3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
SMILESC[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H16Cl2FN3O3/c1-19(14-7-2-11(20)10-15(14)21)17(27)25(18(28)24-19)9-8-16(26)23-13-5-3-12(22)4-6-13/h2-7,10H,8-9H2,1H3,(H,23,26)(H,24,28)/t19-/m1/s1
InChIKeyPAHLRIKOLALRPM-LJQANCHMSA-N
XLogP3.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 53.93
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-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 4967480
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 3873765
N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 55482120
N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41139200
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-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703032
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2081835
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide (CID 51954629) is 3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide is C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide?
The InChIKey is PAHLRIKOLALRPM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O3/c1-19(14-7-2-11(20)10-15(14)21)17(27)25(18(28)24-19)9-8-16(26)23-13-5-3-12(22)4-6-13/h2-7,10H,8-9H2,1H3,(H,23,26)(H,24,28)/t19-/m1/s1.
What are the key properties of 3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide?
3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 424.26 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 51954629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).