N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide

C25H24FN3O4 — CID 43028361

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 43028361) has the molecular formula C25H24FN3O4 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
• PubChem CID: 43028361
• Molecular Formula: C25H24FN3O4
• Molecular Weight: 449.48 g/mol
• Exact Mass: 449.18
• IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
• SMILES: COc1ccc(CN(C)C(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)cc1F
• InChI: InChI=1S/C25H24FN3O4/c1-25(19-10-6-8-17-7-4-5-9-18(17)19)23(31)29(24(32)27-25)15-22(30)28(2)14-16-11-12-21(33-3)20(26)13-16/h4-13H,14-15H2,1-3H3,(H,27,32)
• InChIKey: GICDHCJTYOUDAQ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.48
LogP ≤ 5	3.41
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-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?

The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 43028361) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

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

The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide is COc1ccc(CN(C)C(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)cc1F.

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

The InChIKey is GICDHCJTYOUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4/c1-25(19-10-6-8-17-7-4-5-9-18(17)19)23(31)29(24(32)27-25)15-22(30)28(2)14-16-11-12-21(33-3)20(26)13-16/h4-13H,14-15H2,1-3H3,(H,27,32).

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

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 449.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 43028361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).