2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide

C21H19Cl2N3O3 — CID 18438694

IUPAC2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-c2ccc(=O)n(CCO)n2)ccc1Cl
InChIInChI=1S/C21H19Cl2N3O3/c22-17-4-2-1-3-14(17)9-10-24-21(29)16-13-15(5-6-18(16)23)19-7-8-20(28)26(25-19)11-12-27/h1-8,13,27H,9-12H2,(H,24,29)
InChIKeyZUQBVEZWJHKHQM-UHFFFAOYSA-N
MW432.31 g/mol
LogP3.18
Rot. Bonds7

About 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide (PubChem CID 18438694) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide
PubChem CID18438694
Molecular FormulaC21H19Cl2N3O3
Molecular Weight432.31 g/mol
Exact Mass431.08
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-c2ccc(=O)n(CCO)n2)ccc1Cl
InChIInChI=1S/C21H19Cl2N3O3/c22-17-4-2-1-3-14(17)9-10-24-21(29)16-13-15(5-6-18(16)23)19-7-8-20(28)26(25-19)11-12-27/h1-8,13,27H,9-12H2,(H,24,29)
InChIKeyZUQBVEZWJHKHQM-UHFFFAOYSA-N
XLogP3.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide (CID 18438694) is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide is O=C(NCCc1ccccc1Cl)c1cc(-c2ccc(=O)n(CCO)n2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide?
The InChIKey is ZUQBVEZWJHKHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c22-17-4-2-1-3-14(17)9-10-24-21(29)16-13-15(5-6-18(16)23)19-7-8-20(28)26(25-19)11-12-27/h1-8,13,27H,9-12H2,(H,24,29).
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide?
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide has a molecular weight of 432.31 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide is sourced from PubChem (CID 18438694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).