N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline

C26H18F4N4 — CID 137394490

About N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline

N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline (PubChem CID 137394490) has the molecular formula C26H18F4N4 and a molecular weight of 462.45 g/mol. Its IUPAC name is N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline.

Molecular Properties

• Compound Name: N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline
• PubChem CID: 137394490
• Molecular Formula: C26H18F4N4
• Molecular Weight: 462.45 g/mol
• Exact Mass: 462.15
• IUPAC Name: N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline
• SMILES: Fc1ccc(N/N=C/c2ccc(-c3cccc(/C=N/Nc4ccc(F)cc4F)c3)cc2)c(F)c1
• InChI: InChI=1S/C26H18F4N4/c27-21-8-10-25(23(29)13-21)33-31-15-17-4-6-19(7-5-17)20-3-1-2-18(12-20)16-32-34-26-11-9-22(28)14-24(26)30/h1-16,33-34H/b31-15+,32-16+
• InChIKey: LAAOZBZXIFLDRK-IHXWQEJPSA-N
• XLogP: 6.80
• TPSA: 48.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.45
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline?

The IUPAC name of N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline (CID 137394490) is N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline.

What is the SMILES notation for N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline?

The canonical SMILES for N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline is Fc1ccc(N/N=C/c2ccc(-c3cccc(/C=N/Nc4ccc(F)cc4F)c3)cc2)c(F)c1.

What is the InChIKey of N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline?

The InChIKey is LAAOZBZXIFLDRK-IHXWQEJPSA-N. The full InChI is InChI=1S/C26H18F4N4/c27-21-8-10-25(23(29)13-21)33-31-15-17-4-6-19(7-5-17)20-3-1-2-18(12-20)16-32-34-26-11-9-22(28)14-24(26)30/h1-16,33-34H/b31-15+,32-16+.

What are the key properties of N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline?

N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline has a molecular weight of 462.45 g/mol, XLogP of 6.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline is sourced from PubChem (CID 137394490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).