4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one

C24H18ClFN4O2 — CID 110338610

About 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one

4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one (PubChem CID 110338610) has the molecular formula C24H18ClFN4O2 and a molecular weight of 448.89 g/mol. Its IUPAC name is 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one.

Molecular Properties

• Compound Name: 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one
• PubChem CID: 110338610
• Molecular Formula: C24H18ClFN4O2
• Molecular Weight: 448.89 g/mol
• Exact Mass: 448.11
• IUPAC Name: 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one
• SMILES: O=c1c(Cl)c(N/N=C/c2ccccc2OCc2ccccc2F)cnn1-c1ccccc1
• InChI: InChI=1S/C24H18ClFN4O2/c25-23-21(15-28-30(24(23)31)19-10-2-1-3-11-19)29-27-14-17-8-5-7-13-22(17)32-16-18-9-4-6-12-20(18)26/h1-15,29H,16H2/b27-14+
• InChIKey: KPLVXAGVMBZHRO-MZJWZYIUSA-N
• XLogP: 5.05
• TPSA: 68.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.89
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one?

The IUPAC name of 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one (CID 110338610) is 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one.

What is the SMILES notation for 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one?

The canonical SMILES for 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one is O=c1c(Cl)c(N/N=C/c2ccccc2OCc2ccccc2F)cnn1-c1ccccc1.

What is the InChIKey of 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one?

The InChIKey is KPLVXAGVMBZHRO-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H18ClFN4O2/c25-23-21(15-28-30(24(23)31)19-10-2-1-3-11-19)29-27-14-17-8-5-7-13-22(17)32-16-18-9-4-6-12-20(18)26/h1-15,29H,16H2/b27-14+.

What are the key properties of 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one?

4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one has a molecular weight of 448.89 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 110338610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).