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

C21H21F2N3O4 — CID 24523464

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

2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 24523464) has the molecular formula C21H21F2N3O4 and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
• PubChem CID: 24523464
• Molecular Formula: C21H21F2N3O4
• Molecular Weight: 417.41 g/mol
• Exact Mass: 417.15
• IUPAC Name: 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
• SMILES: COc1cccc(CN(C)C(=O)CN2C(=O)NC(C)(c3ccc(F)c(F)c3)C2=O)c1
• InChI: InChI=1S/C21H21F2N3O4/c1-21(14-7-8-16(22)17(23)10-14)19(28)26(20(29)24-21)12-18(27)25(2)11-13-5-4-6-15(9-13)30-3/h4-10H,11-12H2,1-3H3,(H,24,29)
• InChIKey: RIVFYPZBWFFIDN-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.41
LogP ≤ 5	2.40
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-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?

The IUPAC name of 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 24523464) is 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

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

The canonical SMILES for 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)CN2C(=O)NC(C)(c3ccc(F)c(F)c3)C2=O)c1.

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

The InChIKey is RIVFYPZBWFFIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4/c1-21(14-7-8-16(22)17(23)10-14)19(28)26(20(29)24-21)12-18(27)25(2)11-13-5-4-6-15(9-13)30-3/h4-10H,11-12H2,1-3H3,(H,24,29).

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

2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 417.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 24523464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).