3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide

C20H18ClN3O2 — CID 8701790

IUPAC3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCc1ccc(-c2ccc(OCCNC(=O)c3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C20H18ClN3O2/c1-14-5-7-15(8-6-14)18-9-10-19(24-23-18)26-12-11-22-20(25)16-3-2-4-17(21)13-16/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeyZZRLEBSYNCJFIM-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.91
Rot. Bonds6

About 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide

3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide (PubChem CID 8701790) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
PubChem CID8701790
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCc1ccc(-c2ccc(OCCNC(=O)c3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C20H18ClN3O2/c1-14-5-7-15(8-6-14)18-9-10-19(24-23-18)26-12-11-22-20(25)16-3-2-4-17(21)13-16/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeyZZRLEBSYNCJFIM-UHFFFAOYSA-N
XLogP3.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide (CID 8701790) is 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide is Cc1ccc(-c2ccc(OCCNC(=O)c3cccc(Cl)c3)nn2)cc1.
What is the InChIKey of 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The InChIKey is ZZRLEBSYNCJFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-14-5-7-15(8-6-14)18-9-10-19(24-23-18)26-12-11-22-20(25)16-3-2-4-17(21)13-16/h2-10,13H,11-12H2,1H3,(H,22,25).
What are the key properties of 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide has a molecular weight of 367.84 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide is sourced from PubChem (CID 8701790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).