N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

C26H26ClN3O2 — CID 50754199

About N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (PubChem CID 50754199) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• PubChem CID: 50754199
• Molecular Formula: C26H26ClN3O2
• Molecular Weight: 447.97 g/mol
• Exact Mass: 447.17
• IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• SMILES: Cc1ccccc1CN1CCCN(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1=O
• InChI: InChI=1S/C26H26ClN3O2/c1-19-5-2-3-6-22(19)18-29-15-4-16-30(26(29)32)24-13-9-21(10-14-24)25(31)28-17-20-7-11-23(27)12-8-20/h2-3,5-14H,4,15-18H2,1H3,(H,28,31)
• InChIKey: YHRWZAAPYLIJBH-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.97
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (CID 50754199) is N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is Cc1ccccc1CN1CCCN(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1=O.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The InChIKey is YHRWZAAPYLIJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-19-5-2-3-6-22(19)18-29-15-4-16-30(26(29)32)24-13-9-21(10-14-24)25(31)28-17-20-7-11-23(27)12-8-20/h2-3,5-14H,4,15-18H2,1H3,(H,28,31).

What are the key properties of N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide has a molecular weight of 447.97 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is sourced from PubChem (CID 50754199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).