N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide

C26H26FN3O3 — CID 42868823

About N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide

N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide (PubChem CID 42868823) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide
• PubChem CID: 42868823
• Molecular Formula: C26H26FN3O3
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.20
• IUPAC Name: N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide
• SMILES: COc1ccccc1C(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccccc2F)C1=O
• InChI: InChI=1S/C26H26FN3O3/c1-18-12-13-23(22(16-18)28-25(31)20-9-4-6-11-24(20)33-2)30-15-7-14-29(26(30)32)17-19-8-3-5-10-21(19)27/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,28,31)
• InChIKey: OONLEBOSKUYESZ-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.51
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide?

The IUPAC name of N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide (CID 42868823) is N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide.

What is the SMILES notation for N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide?

The canonical SMILES for N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccccc2F)C1=O.

What is the InChIKey of N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide?

The InChIKey is OONLEBOSKUYESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-18-12-13-23(22(16-18)28-25(31)20-9-4-6-11-24(20)33-2)30-15-7-14-29(26(30)32)17-19-8-3-5-10-21(19)27/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,28,31).

What are the key properties of N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide?

N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide has a molecular weight of 447.51 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide is sourced from PubChem (CID 42868823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).