4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one

C18H15ClFN3O — CID 9172583

IUPAC4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccccc2F)cnn1-c1ccccc1
InChIInChI=1S/C18H15ClFN3O/c19-17-16(21-11-10-13-6-4-5-9-15(13)20)12-22-23(18(17)24)14-7-2-1-3-8-14/h1-9,12,21H,10-11H2
InChIKeyNRUFRVMIDPZELW-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.68
Rot. Bonds5

About 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one

4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one (PubChem CID 9172583) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
PubChem CID9172583
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccccc2F)cnn1-c1ccccc1
InChIInChI=1S/C18H15ClFN3O/c19-17-16(21-11-10-13-6-4-5-9-15(13)20)12-22-23(18(17)24)14-7-2-1-3-8-14/h1-9,12,21H,10-11H2
InChIKeyNRUFRVMIDPZELW-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
CID 18291225
4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110338610
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280925
4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one
CID 133302214
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
4-chloro-5-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-phenylpyridazin-3-one
CID 55346985
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
4-chloro-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 4677803
4-chloro-2-(4-cyclopentylphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
CID 168963604
4-chloro-5-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-phenylpyridazin-3-one
CID 18084796
4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114440096

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one (CID 9172583) is 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one is O=c1c(Cl)c(NCCc2ccccc2F)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one?
The InChIKey is NRUFRVMIDPZELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-17-16(21-11-10-13-6-4-5-9-15(13)20)12-22-23(18(17)24)14-7-2-1-3-8-14/h1-9,12,21H,10-11H2.
What are the key properties of 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one?
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one has a molecular weight of 343.79 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 9172583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).