2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C20H18ClN3O3 — CID 7659876

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H18ClN3O3/c1-27-18-5-3-2-4-15(18)12-22-19(25)13-24-20(26)11-10-17(23-24)14-6-8-16(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyIABGOYKWUVNNIW-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.89
Rot. Bonds6

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 7659876) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID7659876
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H18ClN3O3/c1-27-18-5-3-2-4-15(18)12-22-19(25)13-24-20(26)11-10-17(23-24)14-6-8-16(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyIABGOYKWUVNNIW-UHFFFAOYSA-N
XLogP2.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 7659876) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is IABGOYKWUVNNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-27-18-5-3-2-4-15(18)12-22-19(25)13-24-20(26)11-10-17(23-24)14-6-8-16(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 383.84 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 7659876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).