2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide

C19H16ClF2N3O5S — CID 55464206

IUPAC2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1=O
InChIInChI=1S/C19H16ClF2N3O5S/c1-19(11-2-4-12(20)5-3-11)16(27)25(18(28)24-19)10-15(26)23-13-6-8-14(9-7-13)31(29,30)17(21)22/h2-9,17H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyUMWLUUJFCLEGEM-UHFFFAOYSA-N
MW471.87 g/mol
LogP2.74
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide

2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide (PubChem CID 55464206) has the molecular formula C19H16ClF2N3O5S and a molecular weight of 471.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
PubChem CID55464206
Molecular FormulaC19H16ClF2N3O5S
Molecular Weight471.87 g/mol
Exact Mass471.05
IUPAC Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1=O
InChIInChI=1S/C19H16ClF2N3O5S/c1-19(11-2-4-12(20)5-3-11)16(27)25(18(28)24-19)10-15(26)23-13-6-8-14(9-7-13)31(29,30)17(21)22/h2-9,17H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyUMWLUUJFCLEGEM-UHFFFAOYSA-N
XLogP2.74
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.87
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide (CID 55464206) is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide is CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is UMWLUUJFCLEGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O5S/c1-19(11-2-4-12(20)5-3-11)16(27)25(18(28)24-19)10-15(26)23-13-6-8-14(9-7-13)31(29,30)17(21)22/h2-9,17H,10H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 471.87 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 55464206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).