2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide

C23H24ClN3O4 — CID 46381681

IUPAC2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)C(CC)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1
InChIInChI=1S/C23H24ClN3O4/c1-4-19(23(29)25-17-8-6-7-9-20(17)30-5-2)31-21-12-13-22(28)27(26-21)18-14-16(24)11-10-15(18)3/h6-14,19H,4-5H2,1-3H3,(H,25,29)
InChIKeyBHASNMSWQPAXSH-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.39
Rot. Bonds8

About 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide

2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide (PubChem CID 46381681) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide
PubChem CID46381681
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)C(CC)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1
InChIInChI=1S/C23H24ClN3O4/c1-4-19(23(29)25-17-8-6-7-9-20(17)30-5-2)31-21-12-13-22(28)27(26-21)18-14-16(24)11-10-15(18)3/h6-14,19H,4-5H2,1-3H3,(H,25,29)
InChIKeyBHASNMSWQPAXSH-UHFFFAOYSA-N
XLogP4.39
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide
CID 92881079
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide
CID 92881156
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 46381669
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide
CID 92881120
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2,5-dimethylphenyl)propanamide
CID 92881157
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92881094
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 53289071
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide
CID 92881183
(2R)-N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880917
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92880709
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide?
The IUPAC name of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide (CID 46381681) is 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide.
What is the SMILES notation for 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide?
The canonical SMILES for 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide is CCOc1ccccc1NC(=O)C(CC)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide?
The InChIKey is BHASNMSWQPAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-4-19(23(29)25-17-8-6-7-9-20(17)30-5-2)31-21-12-13-22(28)27(26-21)18-14-16(24)11-10-15(18)3/h6-14,19H,4-5H2,1-3H3,(H,25,29).
What are the key properties of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide?
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide has a molecular weight of 441.92 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide is sourced from PubChem (CID 46381681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).