2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C20H23Cl2N5O3 — CID 55989170

IUPAC2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C20H23Cl2N5O3/c1-2-14-5-3-4-6-16(14)24-17(28)12-25-7-9-26(10-8-25)18(29)13-27-20(30)19(22)15(21)11-23-27/h3-6,11H,2,7-10,12-13H2,1H3,(H,24,28)
InChIKeyZCLWFXAMHXZDDB-UHFFFAOYSA-N
MW452.34 g/mol
LogP1.90
Rot. Bonds6

About 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 55989170) has the molecular formula C20H23Cl2N5O3 and a molecular weight of 452.34 g/mol. Its IUPAC name is 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID55989170
Molecular FormulaC20H23Cl2N5O3
Molecular Weight452.34 g/mol
Exact Mass451.12
IUPAC Name2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C20H23Cl2N5O3/c1-2-14-5-3-4-6-16(14)24-17(28)12-25-7-9-26(10-8-25)18(29)13-27-20(30)19(22)15(21)11-23-27/h3-6,11H,2,7-10,12-13H2,1H3,(H,24,28)
InChIKeyZCLWFXAMHXZDDB-UHFFFAOYSA-N
XLogP1.90
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55507108
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5236251
2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 42917736
N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27852073
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 55989170) is 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1.
What is the InChIKey of 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is ZCLWFXAMHXZDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N5O3/c1-2-14-5-3-4-6-16(14)24-17(28)12-25-7-9-26(10-8-25)18(29)13-27-20(30)19(22)15(21)11-23-27/h3-6,11H,2,7-10,12-13H2,1H3,(H,24,28).
What are the key properties of 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 452.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 55989170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).