4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one

C18H11Cl3F2N4O — CID 4554467

IUPAC4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one
SMILESCN(N=Cc1c(F)cccc1Cl)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl
InChIInChI=1S/C18H11Cl3F2N4O/c1-26(24-8-11-12(19)3-2-4-14(11)22)16-9-25-27(18(28)17(16)21)10-5-6-15(23)13(20)7-10/h2-9H,1H3
InChIKeyFYWJKMCPTFNWLI-UHFFFAOYSA-N
MW443.67 g/mol
LogP4.94
Rot. Bonds4

About 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one

4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one (PubChem CID 4554467) has the molecular formula C18H11Cl3F2N4O and a molecular weight of 443.67 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one
PubChem CID4554467
Molecular FormulaC18H11Cl3F2N4O
Molecular Weight443.67 g/mol
Exact Mass442.00
IUPAC Name4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one
SMILESCN(N=Cc1c(F)cccc1Cl)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl
InChIInChI=1S/C18H11Cl3F2N4O/c1-26(24-8-11-12(19)3-2-4-14(11)22)16-9-25-27(18(28)17(16)21)10-5-6-15(23)13(20)7-10/h2-9H,1H3
InChIKeyFYWJKMCPTFNWLI-UHFFFAOYSA-N
XLogP4.94
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.67
LogP ≤ 54.94
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one (CID 4554467) is 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one is CN(N=Cc1c(F)cccc1Cl)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one?
The InChIKey is FYWJKMCPTFNWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3F2N4O/c1-26(24-8-11-12(19)3-2-4-14(11)22)16-9-25-27(18(28)17(16)21)10-5-6-15(23)13(20)7-10/h2-9H,1H3.
What are the key properties of 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one?
4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one has a molecular weight of 443.67 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-fluorophenyl)-5-[[(2-chloro-6-fluorophenyl)methylideneamino]-methylamino]pyridazin-3-one is sourced from PubChem (CID 4554467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).