2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide

C21H16ClFN4O2 — CID 16885948

IUPAC2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NC(=O)c4c(F)cccc4Cl)c3)cn2n1
InChIInChI=1S/C21H16ClFN4O2/c1-12-6-7-13(17-11-27-18(24-17)8-9-19(26-27)29-2)10-16(12)25-21(28)20-14(22)4-3-5-15(20)23/h3-11H,1-2H3,(H,25,28)
InChIKeyKPRUWDGUJOLQJF-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.76
Rot. Bonds4

About 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide

2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide (PubChem CID 16885948) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide
PubChem CID16885948
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NC(=O)c4c(F)cccc4Cl)c3)cn2n1
InChIInChI=1S/C21H16ClFN4O2/c1-12-6-7-13(17-11-27-18(24-17)8-9-19(26-27)29-2)10-16(12)25-21(28)20-14(22)4-3-5-15(20)23/h3-11H,1-2H3,(H,25,28)
InChIKeyKPRUWDGUJOLQJF-UHFFFAOYSA-N
XLogP4.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide (CID 16885948) is 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide is COc1ccc2nc(-c3ccc(C)c(NC(=O)c4c(F)cccc4Cl)c3)cn2n1.
What is the InChIKey of 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide?
The InChIKey is KPRUWDGUJOLQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c1-12-6-7-13(17-11-27-18(24-17)8-9-19(26-27)29-2)10-16(12)25-21(28)20-14(22)4-3-5-15(20)23/h3-11H,1-2H3,(H,25,28).
What are the key properties of 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide?
2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide has a molecular weight of 410.84 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 16885948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).