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

C25H24ClN3O2 — CID 46070249

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

N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide (PubChem CID 46070249) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide
• PubChem CID: 46070249
• Molecular Formula: C25H24ClN3O2
• Molecular Weight: 433.94 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide
• SMILES: Cc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)c2ccccc2)c1
• InChI: InChI=1S/C25H24ClN3O2/c1-18-11-12-23(22(15-18)27-24(30)20-8-3-2-4-9-20)29-14-6-13-28(25(29)31)17-19-7-5-10-21(26)16-19/h2-5,7-12,15-16H,6,13-14,17H2,1H3,(H,27,30)
• InChIKey: UUOVXAAQACWNBV-UHFFFAOYSA-N
• XLogP: 5.73
• 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	433.94
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide (CID 46070249) is N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide.

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

The canonical SMILES for N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide is Cc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)c2ccccc2)c1.

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

The InChIKey is UUOVXAAQACWNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-18-11-12-23(22(15-18)27-24(30)20-8-3-2-4-9-20)29-14-6-13-28(25(29)31)17-19-7-5-10-21(26)16-19/h2-5,7-12,15-16H,6,13-14,17H2,1H3,(H,27,30).

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

N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide has a molecular weight of 433.94 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide is sourced from PubChem (CID 46070249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).