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

C24H28ClN3O2 — CID 46070254

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

N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide (PubChem CID 46070254) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide
• PubChem CID: 46070254
• Molecular Formula: C24H28ClN3O2
• Molecular Weight: 425.96 g/mol
• Exact Mass: 425.19
• IUPAC Name: N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide
• SMILES: Cc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)C2CCCC2)c1
• InChI: InChI=1S/C24H28ClN3O2/c1-17-10-11-22(21(14-17)26-23(29)19-7-2-3-8-19)28-13-5-12-27(24(28)30)16-18-6-4-9-20(25)15-18/h4,6,9-11,14-15,19H,2-3,5,7-8,12-13,16H2,1H3,(H,26,29)
• InChIKey: YDWQOENZQUTYDL-UHFFFAOYSA-N
• XLogP: 5.61
• 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	425.96
LogP ≤ 5	5.61
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]cyclopentanecarboxamide?

The IUPAC name of N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide (CID 46070254) is N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide is Cc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)C2CCCC2)c1.

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

The InChIKey is YDWQOENZQUTYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-17-10-11-22(21(14-17)26-23(29)19-7-2-3-8-19)28-13-5-12-27(24(28)30)16-18-6-4-9-20(25)15-18/h4,6,9-11,14-15,19H,2-3,5,7-8,12-13,16H2,1H3,(H,26,29).

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

N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide has a molecular weight of 425.96 g/mol, XLogP of 5.61, 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]cyclopentanecarboxamide is sourced from PubChem (CID 46070254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).