N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

C25H24FN3O2 — CID 50814193

About N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (PubChem CID 50814193) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• PubChem CID: 50814193
• Molecular Formula: C25H24FN3O2
• Molecular Weight: 417.48 g/mol
• Exact Mass: 417.19
• IUPAC Name: N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• SMILES: Cc1cccc(CN2CCCN(c3cccc(C(=O)Nc4cccc(F)c4)c3)C2=O)c1
• InChI: InChI=1S/C25H24FN3O2/c1-18-6-2-7-19(14-18)17-28-12-5-13-29(25(28)31)23-11-3-8-20(15-23)24(30)27-22-10-4-9-21(26)16-22/h2-4,6-11,14-16H,5,12-13,17H2,1H3,(H,27,30)
• InChIKey: IVERFQUPKZFDIM-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.48
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The IUPAC name of N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (CID 50814193) is N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

What is the SMILES notation for N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The canonical SMILES for N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is Cc1cccc(CN2CCCN(c3cccc(C(=O)Nc4cccc(F)c4)c3)C2=O)c1.

What is the InChIKey of N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The InChIKey is IVERFQUPKZFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-18-6-2-7-19(14-18)17-28-12-5-13-29(25(28)31)23-11-3-8-20(15-23)24(30)27-22-10-4-9-21(26)16-22/h2-4,6-11,14-16H,5,12-13,17H2,1H3,(H,27,30).

What are the key properties of N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide has a molecular weight of 417.48 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is sourced from PubChem (CID 50814193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).