2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide

C22H25ClN4O2 — CID 20968203

IUPAC2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)c1ccccc1
InChIInChI=1S/C22H25ClN4O2/c1-2-26(19-6-4-3-5-7-19)15-14-24-21(28)16-27-22(29)13-12-20(25-27)17-8-10-18(23)11-9-17/h3-11H,2,12-16H2,1H3,(H,24,28)
InChIKeyWOLPCCKTONOIEL-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.31
Rot. Bonds8

About 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide

2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide (PubChem CID 20968203) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide
PubChem CID20968203
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)c1ccccc1
InChIInChI=1S/C22H25ClN4O2/c1-2-26(19-6-4-3-5-7-19)15-14-24-21(28)16-27-22(29)13-12-20(25-27)17-8-10-18(23)11-9-17/h3-11H,2,12-16H2,1H3,(H,24,28)
InChIKeyWOLPCCKTONOIEL-UHFFFAOYSA-N
XLogP3.31
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide (CID 20968203) is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide is CCN(CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)c1ccccc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide?
The InChIKey is WOLPCCKTONOIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-2-26(19-6-4-3-5-7-19)15-14-24-21(28)16-27-22(29)13-12-20(25-27)17-8-10-18(23)11-9-17/h3-11H,2,12-16H2,1H3,(H,24,28).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide?
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide has a molecular weight of 412.92 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(N-ethylanilino)ethyl]acetamide is sourced from PubChem (CID 20968203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).