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

C24H22ClN3O2 — CID 46069786

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

N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (PubChem CID 46069786) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
• PubChem CID: 46069786
• Molecular Formula: C24H22ClN3O2
• Molecular Weight: 419.91 g/mol
• Exact Mass: 419.14
• IUPAC Name: N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
• SMILES: O=C(Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O)c1ccccc1
• InChI: InChI=1S/C24H22ClN3O2/c25-20-12-5-4-11-19(20)17-27-15-8-16-28(24(27)30)22-14-7-6-13-21(22)26-23(29)18-9-2-1-3-10-18/h1-7,9-14H,8,15-17H2,(H,26,29)
• InChIKey: RJOJCKGIJJMGNI-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.91
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (CID 46069786) is N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.

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

The canonical SMILES for N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is O=C(Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O)c1ccccc1.

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

The InChIKey is RJOJCKGIJJMGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-20-12-5-4-11-19(20)17-27-15-8-16-28(24(27)30)22-14-7-6-13-21(22)26-23(29)18-9-2-1-3-10-18/h1-7,9-14H,8,15-17H2,(H,26,29).

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

N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide has a molecular weight of 419.91 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is sourced from PubChem (CID 46069786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).