2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide

C24H24F2N4O — CID 42850153

About 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide

2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 42850153) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
• PubChem CID: 42850153
• Molecular Formula: C24H24F2N4O
• Molecular Weight: 422.48 g/mol
• Exact Mass: 422.19
• IUPAC Name: 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
• SMILES: Cc1ccc(CN2CCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1
• InChI: InChI=1S/C24H24F2N4O/c1-17-2-4-18(5-3-17)16-29-10-12-30(13-11-29)23-9-7-20(15-27-23)28-24(31)21-8-6-19(25)14-22(21)26/h2-9,14-15H,10-13,16H2,1H3,(H,28,31)
• InChIKey: IYNMJAZFMWAVLL-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.48
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?

The IUPAC name of 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide (CID 42850153) is 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?

The canonical SMILES for 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide is Cc1ccc(CN2CCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1.

What is the InChIKey of 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?

The InChIKey is IYNMJAZFMWAVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-17-2-4-18(5-3-17)16-29-10-12-30(13-11-29)23-9-7-20(15-27-23)28-24(31)21-8-6-19(25)14-22(21)26/h2-9,14-15H,10-13,16H2,1H3,(H,28,31).

What are the key properties of 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?

2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 422.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 42850153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).