4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide

C18H11Cl3FN3O3 — CID 154982250

IUPAC4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C18H11Cl3FN3O3/c1-27-16-4-9(22)2-3-14(16)28-15-7-13(20)12(19)6-11(15)18(26)24-10-5-17(21)25-23-8-10/h2-8H,1H3,(H,24,25,26)
InChIKeyICADEWAMBMSDDW-UHFFFAOYSA-N
MW442.66 g/mol
LogP5.63
Rot. Bonds5

About 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide

4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide (PubChem CID 154982250) has the molecular formula C18H11Cl3FN3O3 and a molecular weight of 442.66 g/mol. Its IUPAC name is 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide.

Molecular Properties

Compound Name4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
PubChem CID154982250
Molecular FormulaC18H11Cl3FN3O3
Molecular Weight442.66 g/mol
Exact Mass440.99
IUPAC Name4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C18H11Cl3FN3O3/c1-27-16-4-9(22)2-3-14(16)28-15-7-13(20)12(19)6-11(15)18(26)24-10-5-17(21)25-23-8-10/h2-8H,1H3,(H,24,25,26)
InChIKeyICADEWAMBMSDDW-UHFFFAOYSA-N
XLogP5.63
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.66
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The IUPAC name of 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide (CID 154982250) is 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide.
What is the SMILES notation for 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The canonical SMILES for 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide is COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cnnc(Cl)c1.
What is the InChIKey of 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The InChIKey is ICADEWAMBMSDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3FN3O3/c1-27-16-4-9(22)2-3-14(16)28-15-7-13(20)12(19)6-11(15)18(26)24-10-5-17(21)25-23-8-10/h2-8H,1H3,(H,24,25,26).
What are the key properties of 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide?
4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide has a molecular weight of 442.66 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methoxyphenoxy)benzamide is sourced from PubChem (CID 154982250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).