2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide

C26H16F5N3O — CID 140639364

About 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide

2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide (PubChem CID 140639364) has the molecular formula C26H16F5N3O and a molecular weight of 481.42 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
• PubChem CID: 140639364
• Molecular Formula: C26H16F5N3O
• Molecular Weight: 481.42 g/mol
• Exact Mass: 481.12
• IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
• SMILES: O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1
• InChI: InChI=1S/C26H16F5N3O/c27-21-17(22(28)24(30)25(31)23(21)29)13-20(35)34-26-18(12-11-15-7-3-1-4-8-15)33-19(14-32-26)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,32,34,35)/b12-11+
• InChIKey: IYRUMZULZOJCMG-VAWYXSNFSA-N
• XLogP: 6.19
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.42
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide?

The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide (CID 140639364) is 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide.

What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide?

The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide is O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.

What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide?

The InChIKey is IYRUMZULZOJCMG-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H16F5N3O/c27-21-17(22(28)24(30)25(31)23(21)29)13-20(35)34-26-18(12-11-15-7-3-1-4-8-15)33-19(14-32-26)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,32,34,35)/b12-11+.

What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide?

2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide has a molecular weight of 481.42 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 140639364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).