3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one

C18H13Cl2FN2O2 — CID 18440244

IUPAC3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one
SMILESCc1cc(Cc2cc(Oc3cccc(Cl)c3)c(Cl)cc2F)n[nH]c1=O
InChIInChI=1S/C18H13Cl2FN2O2/c1-10-5-13(22-23-18(10)24)6-11-7-17(15(20)9-16(11)21)25-14-4-2-3-12(19)8-14/h2-5,7-9H,6H2,1H3,(H,23,24)
InChIKeyISXCXFBDXGVCAV-UHFFFAOYSA-N
MW379.22 g/mol
LogP4.91
Rot. Bonds4

About 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one

3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one (PubChem CID 18440244) has the molecular formula C18H13Cl2FN2O2 and a molecular weight of 379.22 g/mol. Its IUPAC name is 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one
PubChem CID18440244
Molecular FormulaC18H13Cl2FN2O2
Molecular Weight379.22 g/mol
Exact Mass378.03
IUPAC Name3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one
SMILESCc1cc(Cc2cc(Oc3cccc(Cl)c3)c(Cl)cc2F)n[nH]c1=O
InChIInChI=1S/C18H13Cl2FN2O2/c1-10-5-13(22-23-18(10)24)6-11-7-17(15(20)9-16(11)21)25-14-4-2-3-12(19)8-14/h2-5,7-9H,6H2,1H3,(H,23,24)
InChIKeyISXCXFBDXGVCAV-UHFFFAOYSA-N
XLogP4.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one (CID 18440244) is 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one is Cc1cc(Cc2cc(Oc3cccc(Cl)c3)c(Cl)cc2F)n[nH]c1=O.
What is the InChIKey of 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one?
The InChIKey is ISXCXFBDXGVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2/c1-10-5-13(22-23-18(10)24)6-11-7-17(15(20)9-16(11)21)25-14-4-2-3-12(19)8-14/h2-5,7-9H,6H2,1H3,(H,23,24).
What are the key properties of 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one?
3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one has a molecular weight of 379.22 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-5-(3-chlorophenoxy)-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 18440244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).