3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide

C22H22ClN3O2 — CID 5046063

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C22H22ClN3O2/c1-16-2-4-17(5-3-16)12-14-24-21(27)13-15-26-22(28)11-10-20(25-26)18-6-8-19(23)9-7-18/h2-11H,12-15H2,1H3,(H,24,27)
InChIKeyWDHMFZLDCOHZHO-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.62
Rot. Bonds7

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

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 5046063) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID5046063
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C22H22ClN3O2/c1-16-2-4-17(5-3-16)12-14-24-21(27)13-15-26-22(28)11-10-20(25-26)18-6-8-19(23)9-7-18/h2-11H,12-15H2,1H3,(H,24,27)
InChIKeyWDHMFZLDCOHZHO-UHFFFAOYSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide (CID 5046063) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(CCNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is WDHMFZLDCOHZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-16-2-4-17(5-3-16)12-14-24-21(27)13-15-26-22(28)11-10-20(25-26)18-6-8-19(23)9-7-18/h2-11H,12-15H2,1H3,(H,24,27).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 395.89 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 5046063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).