N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H15F4N3O3S — CID 55435689

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O
InChIInChI=1S/C19H15F4N3O3S/c1-19(10-2-7-13(20)14(21)8-10)16(28)26(18(29)25-19)9-15(27)24-11-3-5-12(6-4-11)30-17(22)23/h2-8,17H,9H2,1H3,(H,24,27)(H,25,29)
InChIKeyDJXVBJRTBHKDLD-UHFFFAOYSA-N
MW441.41 g/mol
LogP3.69
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55435689) has the molecular formula C19H15F4N3O3S and a molecular weight of 441.41 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55435689
Molecular FormulaC19H15F4N3O3S
Molecular Weight441.41 g/mol
Exact Mass441.08
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O
InChIInChI=1S/C19H15F4N3O3S/c1-19(10-2-7-13(20)14(21)8-10)16(28)26(18(29)25-19)9-15(27)24-11-3-5-12(6-4-11)30-17(22)23/h2-8,17H,9H2,1H3,(H,24,27)(H,25,29)
InChIKeyDJXVBJRTBHKDLD-UHFFFAOYSA-N
XLogP3.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.69
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

2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 47094539
4-[[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 46646653
N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 55375107
N-(5-chloro-2-pyridinyl)-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51935140
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55435825
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55434764
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804611
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 24520507
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46512781
N-(4-chlorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42982854
N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide
CID 46513573

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55435689) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DJXVBJRTBHKDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O3S/c1-19(10-2-7-13(20)14(21)8-10)16(28)26(18(29)25-19)9-15(27)24-11-3-5-12(6-4-11)30-17(22)23/h2-8,17H,9H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 441.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55435689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).