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

C20H18Cl2FN3O3 — CID 55443935

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

2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 55443935) has the molecular formula C20H18Cl2FN3O3 and a molecular weight of 438.29 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
• PubChem CID: 55443935
• Molecular Formula: C20H18Cl2FN3O3
• Molecular Weight: 438.29 g/mol
• Exact Mass: 437.07
• IUPAC Name: 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
• SMILES: CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O
• InChI: InChI=1S/C20H18Cl2FN3O3/c1-20(13-6-7-15(21)16(22)9-13)18(28)26(19(29)24-20)11-17(27)25(2)10-12-4-3-5-14(23)8-12/h3-9H,10-11H2,1-2H3,(H,24,29)
• InChIKey: AGSNYEIBOSDCNO-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.29
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide?

The IUPAC name of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 55443935) is 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

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

The canonical SMILES for 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O.

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

The InChIKey is AGSNYEIBOSDCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O3/c1-20(13-6-7-15(21)16(22)9-13)18(28)26(19(29)24-20)11-17(27)25(2)10-12-4-3-5-14(23)8-12/h3-9H,10-11H2,1-2H3,(H,24,29).

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

2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 438.29 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55443935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).