4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one

C19H16ClF2N3O2 — CID 55824703

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one
SMILESCOc1ccc(CCNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)cc1
InChIInChI=1S/C19H16ClF2N3O2/c1-27-14-5-2-12(3-6-14)8-9-23-16-11-24-25(19(26)18(16)20)17-7-4-13(21)10-15(17)22/h2-7,10-11,23H,8-9H2,1H3
InChIKeyFXJHXWLLEURGDO-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.83
Rot. Bonds6

About 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one (PubChem CID 55824703) has the molecular formula C19H16ClF2N3O2 and a molecular weight of 391.81 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one
PubChem CID55824703
Molecular FormulaC19H16ClF2N3O2
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one
SMILESCOc1ccc(CCNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)cc1
InChIInChI=1S/C19H16ClF2N3O2/c1-27-14-5-2-12(3-6-14)8-9-23-16-11-24-25(19(26)18(16)20)17-7-4-13(21)10-15(17)22/h2-7,10-11,23H,8-9H2,1H3
InChIKeyFXJHXWLLEURGDO-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one (CID 55824703) is 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one is COc1ccc(CCNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one?
The InChIKey is FXJHXWLLEURGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O2/c1-27-14-5-2-12(3-6-14)8-9-23-16-11-24-25(19(26)18(16)20)17-7-4-13(21)10-15(17)22/h2-7,10-11,23H,8-9H2,1H3.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one has a molecular weight of 391.81 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 55824703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).