N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C21H20ClF2N3O4 — CID 24520498

About N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 24520498) has the molecular formula C21H20ClF2N3O4 and a molecular weight of 451.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• PubChem CID: 24520498
• Molecular Formula: C21H20ClF2N3O4
• Molecular Weight: 451.86 g/mol
• Exact Mass: 451.11
• IUPAC Name: N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• SMILES: CN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O
• InChI: InChI=1S/C21H20ClF2N3O4/c1-21(13-3-8-16(23)17(24)11-13)19(29)27(20(30)25-21)12-18(28)26(2)9-10-31-15-6-4-14(22)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,25,30)
• InChIKey: MATUFVKGPJMWPP-UHFFFAOYSA-N
• XLogP: 2.92
• 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	2.92
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 N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 24520498) is N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O.

What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

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

What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 451.86 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 24520498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).