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

C20H14Cl2N4O2 — CID 16886088

IUPAC2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4Cl)c3)cn2n1
InChIInChI=1S/C20H14Cl2N4O2/c1-28-19-9-8-18-23-17(11-26(18)25-19)12-6-7-15(22)16(10-12)24-20(27)13-4-2-3-5-14(13)21/h2-11H,1H3,(H,24,27)
InChIKeyJTYABUZRVSYNQY-UHFFFAOYSA-N
MW413.26 g/mol
LogP4.96
Rot. Bonds4

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

2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (PubChem CID 16886088) has the molecular formula C20H14Cl2N4O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
PubChem CID16886088
Molecular FormulaC20H14Cl2N4O2
Molecular Weight413.26 g/mol
Exact Mass412.05
IUPAC Name2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4Cl)c3)cn2n1
InChIInChI=1S/C20H14Cl2N4O2/c1-28-19-9-8-18-23-17(11-26(18)25-19)12-6-7-15(22)16(10-12)24-20(27)13-4-2-3-5-14(13)21/h2-11H,1H3,(H,24,27)
InChIKeyJTYABUZRVSYNQY-UHFFFAOYSA-N
XLogP4.96
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (CID 16886088) is 2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4Cl)c3)cn2n1.
What is the InChIKey of 2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The InChIKey is JTYABUZRVSYNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O2/c1-28-19-9-8-18-23-17(11-26(18)25-19)12-6-7-15(22)16(10-12)24-20(27)13-4-2-3-5-14(13)21/h2-11H,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide has a molecular weight of 413.26 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 16886088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).