2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide

C21H16ClFN4O3 — CID 16886182

IUPAC2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)COc4ccc(Cl)cc4)c3)cn2n1
InChIInChI=1S/C21H16ClFN4O3/c1-29-21-9-8-19-24-18(11-27(19)26-21)13-2-7-16(23)17(10-13)25-20(28)12-30-15-5-3-14(22)4-6-15/h2-11H,12H2,1H3,(H,25,28)
InChIKeyMTDYWUFLFGIWJO-UHFFFAOYSA-N
MW426.84 g/mol
LogP4.21
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide

2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide (PubChem CID 16886182) has the molecular formula C21H16ClFN4O3 and a molecular weight of 426.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
PubChem CID16886182
Molecular FormulaC21H16ClFN4O3
Molecular Weight426.84 g/mol
Exact Mass426.09
IUPAC Name2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)COc4ccc(Cl)cc4)c3)cn2n1
InChIInChI=1S/C21H16ClFN4O3/c1-29-21-9-8-19-24-18(11-27(19)26-21)13-2-7-16(23)17(10-13)25-20(28)12-30-15-5-3-14(22)4-6-15/h2-11H,12H2,1H3,(H,25,28)
InChIKeyMTDYWUFLFGIWJO-UHFFFAOYSA-N
XLogP4.21
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide (CID 16886182) is 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide is COc1ccc2nc(-c3ccc(F)c(NC(=O)COc4ccc(Cl)cc4)c3)cn2n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
The InChIKey is MTDYWUFLFGIWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O3/c1-29-21-9-8-19-24-18(11-27(19)26-21)13-2-7-16(23)17(10-13)25-20(28)12-30-15-5-3-14(22)4-6-15/h2-11H,12H2,1H3,(H,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide has a molecular weight of 426.84 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 16886182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).