2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide

C23H24F2N4O2 — CID 85487474

About 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide

2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide (PubChem CID 85487474) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide
• PubChem CID: 85487474
• Molecular Formula: C23H24F2N4O2
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.19
• IUPAC Name: 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide
• SMILES: CC(C)C(NC(=O)c1c(F)cccc1F)C(=O)NCCc1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C23H24F2N4O2/c1-15(2)21(28-22(30)20-18(24)5-3-6-19(20)25)23(31)26-13-11-16-7-9-17(10-8-16)29-14-4-12-27-29/h3-10,12,14-15,21H,11,13H2,1-2H3,(H,26,31)(H,28,30)
• InChIKey: UWSBWDIDRQYIJP-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide (CID 85487474) is 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide is CC(C)C(NC(=O)c1c(F)cccc1F)C(=O)NCCc1ccc(-n2cccn2)cc1.

What is the InChIKey of 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide?

The InChIKey is UWSBWDIDRQYIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-15(2)21(28-22(30)20-18(24)5-3-6-19(20)25)23(31)26-13-11-16-7-9-17(10-8-16)29-14-4-12-27-29/h3-10,12,14-15,21H,11,13H2,1-2H3,(H,26,31)(H,28,30).

What are the key properties of 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide?

2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide has a molecular weight of 426.47 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide is sourced from PubChem (CID 85487474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).