2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

C21H20ClF2N3O4 — CID 97090077

About 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (PubChem CID 97090077) has the molecular formula C21H20ClF2N3O4 and a molecular weight of 451.86 g/mol. Its IUPAC name is 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
• PubChem CID: 97090077
• Molecular Formula: C21H20ClF2N3O4
• Molecular Weight: 451.86 g/mol
• Exact Mass: 451.11
• IUPAC Name: 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
• SMILES: CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O
• InChI: InChI=1S/C21H20ClF2N3O4/c1-21(14-5-7-15(22)8-6-14)18(29)27(20(30)25-21)12-17(28)26(2)11-13-3-9-16(10-4-13)31-19(23)24/h3-10,19H,11-12H2,1-2H3,(H,25,30)/t21-/m1/s1
• InChIKey: KPTDLTNGPYVTFN-OAQYLSRUSA-N
• XLogP: 3.37
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.86
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?

The IUPAC name of 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (CID 97090077) is 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.

What is the SMILES notation for 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?

The canonical SMILES for 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O.

What is the InChIKey of 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?

The InChIKey is KPTDLTNGPYVTFN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20ClF2N3O4/c1-21(14-5-7-15(22)8-6-14)18(29)27(20(30)25-21)12-17(28)26(2)11-13-3-9-16(10-4-13)31-19(23)24/h3-10,19H,11-12H2,1-2H3,(H,25,30)/t21-/m1/s1.

What are the key properties of 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?

2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide has a molecular weight of 451.86 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 97090077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).