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

C21H20ClN3O3 — CID 52900581

IUPAC2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1
InChIInChI=1S/C21H20ClN3O3/c1-28-16-8-6-15(7-9-16)12-13-23-20(26)14-25-21(27)11-10-19(24-25)17-4-2-3-5-18(17)22/h2-11H,12-14H2,1H3,(H,23,26)
InChIKeyYUNGCIMSJXKFFH-UHFFFAOYSA-N
MW397.86 g/mol
LogP2.93
Rot. Bonds7

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

2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 52900581) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID52900581
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1
InChIInChI=1S/C21H20ClN3O3/c1-28-16-8-6-15(7-9-16)12-13-23-20(26)14-25-21(27)11-10-19(24-25)17-4-2-3-5-18(17)22/h2-11H,12-14H2,1H3,(H,23,26)
InChIKeyYUNGCIMSJXKFFH-UHFFFAOYSA-N
XLogP2.93
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050345
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7634948
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
4-[[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]methyl]benzoic acid
CID 53370001
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2701039
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224443
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121051159

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 52900581) is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is YUNGCIMSJXKFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-28-16-8-6-15(7-9-16)12-13-23-20(26)14-25-21(27)11-10-19(24-25)17-4-2-3-5-18(17)22/h2-11H,12-14H2,1H3,(H,23,26).
What are the key properties of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 397.86 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 52900581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).