2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C19H20ClFN4O2 — CID 20968800

About 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 20968800) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 20968800
• Molecular Formula: C19H20ClFN4O2
• Molecular Weight: 390.85 g/mol
• Exact Mass: 390.13
• IUPAC Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide
• SMILES: O=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=O)NCc1cccnc1
• InChI: InChI=1S/C19H20ClFN4O2/c20-17-9-16(21)5-4-15(17)12-24-7-2-8-25(19(24)27)13-18(26)23-11-14-3-1-6-22-10-14/h1,3-6,9-10H,2,7-8,11-13H2,(H,23,26)
• InChIKey: AHAFFEZEKWJKPF-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.85
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 20968800) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=O)NCc1cccnc1.

What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is AHAFFEZEKWJKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c20-17-9-16(21)5-4-15(17)12-24-7-2-8-25(19(24)27)13-18(26)23-11-14-3-1-6-22-10-14/h1,3-6,9-10H,2,7-8,11-13H2,(H,23,26).

What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide?

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 390.85 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 20968800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).