3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one

C16H11ClF2N2O — CID 137463297

IUPAC3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3ccc(F)c(Cl)c3)c(F)c2)=NN1
InChIInChI=1S/C16H11ClF2N2O/c17-12-7-9(2-4-13(12)18)11-3-1-10(8-14(11)19)15-5-6-16(22)21-20-15/h1-4,7-8H,5-6H2,(H,21,22)
InChIKeyCFZQEXQGQWCRIN-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.90
Rot. Bonds2

About 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137463297) has the molecular formula C16H11ClF2N2O and a molecular weight of 320.73 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137463297
Molecular FormulaC16H11ClF2N2O
Molecular Weight320.73 g/mol
Exact Mass320.05
IUPAC Name3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3ccc(F)c(Cl)c3)c(F)c2)=NN1
InChIInChI=1S/C16H11ClF2N2O/c17-12-7-9(2-4-13(12)18)11-3-1-10(8-14(11)19)15-5-6-16(22)21-20-15/h1-4,7-8H,5-6H2,(H,21,22)
InChIKeyCFZQEXQGQWCRIN-UHFFFAOYSA-N
XLogP3.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137465198
3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473738
3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 54155434
3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463241
3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463145
3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473956
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde
CID 59827332
5-[3-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462897
2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
CID 130359097
N-(3-chloro-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4539970
3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 154614489
N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
CID 15016355

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137463297) is 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(-c3ccc(F)c(Cl)c3)c(F)c2)=NN1.
What is the InChIKey of 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CFZQEXQGQWCRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O/c17-12-7-9(2-4-13(12)18)11-3-1-10(8-14(11)19)15-5-6-16(22)21-20-15/h1-4,7-8H,5-6H2,(H,21,22).
What are the key properties of 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 320.73 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137463297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).