5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one

C18H14ClFN4O2 — CID 94583588

IUPAC5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESC/C(=N\Nc1cn[nH]c(=O)c1Cl)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C18H14ClFN4O2/c1-11(22-23-15-10-21-24-18(25)17(15)19)12-7-8-16(14(20)9-12)26-13-5-3-2-4-6-13/h2-10H,1H3,(H2,23,24,25)/b22-11+
InChIKeyIVPROGYEWRUKTD-SSDVNMTOSA-N
MW372.79 g/mol
LogP4.19
Rot. Bonds5

About 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 94583588) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID94583588
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESC/C(=N\Nc1cn[nH]c(=O)c1Cl)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C18H14ClFN4O2/c1-11(22-23-15-10-21-24-18(25)17(15)19)12-7-8-16(14(20)9-12)26-13-5-3-2-4-6-13/h2-10H,1H3,(H2,23,24,25)/b22-11+
InChIKeyIVPROGYEWRUKTD-SSDVNMTOSA-N
XLogP4.19
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one (CID 94583588) is 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one is C/C(=N\Nc1cn[nH]c(=O)c1Cl)c1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is IVPROGYEWRUKTD-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-11(22-23-15-10-21-24-18(25)17(15)19)12-7-8-16(14(20)9-12)26-13-5-3-2-4-6-13/h2-10H,1H3,(H2,23,24,25)/b22-11+.
What are the key properties of 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 372.79 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2E)-2-[1-(3-fluoro-4-phenoxyphenyl)ethylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 94583588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).