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

C26H15F6N3O — CID 140639355

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

N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 140639355) has the molecular formula C26H15F6N3O and a molecular weight of 499.41 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
• PubChem CID: 140639355
• Molecular Formula: C26H15F6N3O
• Molecular Weight: 499.41 g/mol
• Exact Mass: 499.11
• IUPAC Name: N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
• SMILES: O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccc(F)cc2)nc1/C=C/c1ccccc1
• InChI: InChI=1S/C26H15F6N3O/c27-16-9-7-15(8-10-16)19-13-33-26(18(34-19)11-6-14-4-2-1-3-5-14)35-20(36)12-17-21(28)23(30)25(32)24(31)22(17)29/h1-11,13H,12H2,(H,33,35,36)/b11-6+
• InChIKey: XOHPAIWLHKTXGW-IZZDOVSWSA-N
• XLogP: 6.33
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.41
LogP ≤ 5	6.33
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 N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The IUPAC name of N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 140639355) is N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

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

The canonical SMILES for N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccc(F)cc2)nc1/C=C/c1ccccc1.

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

The InChIKey is XOHPAIWLHKTXGW-IZZDOVSWSA-N. The full InChI is InChI=1S/C26H15F6N3O/c27-16-9-7-15(8-10-16)19-13-33-26(18(34-19)11-6-14-4-2-1-3-5-14)35-20(36)12-17-21(28)23(30)25(32)24(31)22(17)29/h1-11,13H,12H2,(H,33,35,36)/b11-6+.

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

N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 499.41 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 140639355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).