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

C20H18ClN3O3 — CID 5156696

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1
InChIInChI=1S/C20H18ClN3O3/c1-27-17-4-2-3-14(11-17)12-22-19(25)13-24-20(26)10-9-18(23-24)15-5-7-16(21)8-6-15/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyJMUYXFZEUYGIHX-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.89
Rot. Bonds6

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

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 5156696) 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-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID5156696
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1
InChIInChI=1S/C20H18ClN3O3/c1-27-17-4-2-3-14(11-17)12-22-19(25)13-24-20(26)10-9-18(23-24)15-5-7-16(21)8-6-15/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyJMUYXFZEUYGIHX-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 5156696) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is JMUYXFZEUYGIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-27-17-4-2-3-14(11-17)12-22-19(25)13-24-20(26)10-9-18(23-24)15-5-7-16(21)8-6-15/h2-11H,12-13H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3-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-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 5156696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).