N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide

C₂₃H₁₉ClFN₃O₃ — CID 155542057

About N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide

N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 155542057) has the molecular formula C₂₃H₁₉ClFN₃O₃ and a molecular weight of 439.87 g/mol. Its IUPAC name is N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
• PubChem CID: 155542057
• Molecular Formula: C₂₃H₁₉ClFN₃O₃
• Molecular Weight: 439.87 g/mol
• Exact Mass: 439.11
• IUPAC Name: N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
• SMILES: O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl
• InChI: InChI=1S/C23H19ClFN3O3/c24-20-7-3-1-6-18(20)15-31-21-8-4-2-5-17(21)13-27-28-22(29)14-26-23(30)16-9-11-19(25)12-10-16/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+
• InChIKey: SUNPAFMHZCHJTM-UVHMKAGCSA-N
• XLogP: 3.94
• TPSA: 79.79 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	439.87
LogP ≤ 5	3.94
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-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?

The IUPAC name of N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide (CID 155542057) is N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide.

What is the SMILES notation for N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?

The canonical SMILES for N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl.

What is the InChIKey of N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?

The InChIKey is SUNPAFMHZCHJTM-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H19ClFN3O3/c24-20-7-3-1-6-18(20)15-31-21-8-4-2-5-17(21)13-27-28-22(29)14-26-23(30)16-9-11-19(25)12-10-16/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+.

What are the key properties of N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?

N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 439.87 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 155542057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155542057 — identifiers, structure, computed properties (public domain)

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