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

C21H20ClN3O3 — CID 18589564

IUPAC4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-2-27-18-9-5-15(6-10-18)19-11-12-20(25-24-19)28-14-13-23-21(26)16-3-7-17(22)8-4-16/h3-12H,2,13-14H2,1H3,(H,23,26)
InChIKeyABLLRGPSFNWSAP-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.00
Rot. Bonds8

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

4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide (PubChem CID 18589564) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
PubChem CID18589564
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-2-27-18-9-5-15(6-10-18)19-11-12-20(25-24-19)28-14-13-23-21(26)16-3-7-17(22)8-4-16/h3-12H,2,13-14H2,1H3,(H,23,26)
InChIKeyABLLRGPSFNWSAP-UHFFFAOYSA-N
XLogP4.00
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589577
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 26845120
4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 27564835
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 26845123
N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26845169
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 122572326
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide (CID 18589564) is 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide is CCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The InChIKey is ABLLRGPSFNWSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-2-27-18-9-5-15(6-10-18)19-11-12-20(25-24-19)28-14-13-23-21(26)16-3-7-17(22)8-4-16/h3-12H,2,13-14H2,1H3,(H,23,26).
What are the key properties of 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide?
4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide has a molecular weight of 397.86 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide is sourced from PubChem (CID 18589564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).