3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide

C26H25Cl2N3O2 — CID 46070237

About 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide

3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (PubChem CID 46070237) has the molecular formula C26H25Cl2N3O2 and a molecular weight of 482.41 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
• PubChem CID: 46070237
• Molecular Formula: C26H25Cl2N3O2
• Molecular Weight: 482.41 g/mol
• Exact Mass: 481.13
• IUPAC Name: 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
• SMILES: Cc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3ccc(Cl)c(Cl)c3)C2=O)c1
• InChI: InChI=1S/C26H25Cl2N3O2/c1-17-5-3-6-19(13-17)16-30-11-4-12-31(26(30)33)24-10-7-18(2)14-23(24)29-25(32)20-8-9-21(27)22(28)15-20/h3,5-10,13-15H,4,11-12,16H2,1-2H3,(H,29,32)
• InChIKey: WJBONUIAIHBDPI-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.41
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?

The IUPAC name of 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (CID 46070237) is 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?

The canonical SMILES for 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is Cc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3ccc(Cl)c(Cl)c3)C2=O)c1.

What is the InChIKey of 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?

The InChIKey is WJBONUIAIHBDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O2/c1-17-5-3-6-19(13-17)16-30-11-4-12-31(26(30)33)24-10-7-18(2)14-23(24)29-25(32)20-8-9-21(27)22(28)15-20/h3,5-10,13-15H,4,11-12,16H2,1-2H3,(H,29,32).

What are the key properties of 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?

3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide has a molecular weight of 482.41 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is sourced from PubChem (CID 46070237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).