2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one

C17H14ClFN2O — CID 6624406

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFN2O/c18-14-7-4-8-15(19)13(14)11-21-17(22)10-9-16(20-21)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyNPZCZBBMKWNRFY-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.01
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one

2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 6624406) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID6624406
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFN2O/c18-14-7-4-8-15(19)13(14)11-21-17(22)10-9-16(20-21)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyNPZCZBBMKWNRFY-UHFFFAOYSA-N
XLogP4.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one (CID 6624406) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccccc2)=NN1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is NPZCZBBMKWNRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c18-14-7-4-8-15(19)13(14)11-21-17(22)10-9-16(20-21)12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 316.76 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 6624406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).