2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide

C26H21ClFN3O3 — CID 71698713

IUPAC2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1cccc(Cc2cc(-c3ccc(Cl)cc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C26H21ClFN3O3/c1-34-23-4-2-3-17(14-23)13-19-15-24(18-5-7-20(27)8-6-18)30-31(26(19)33)16-25(32)29-22-11-9-21(28)10-12-22/h2-12,14-15H,13,16H2,1H3,(H,29,32)
InChIKeyGQCTVNROIUWJCC-UHFFFAOYSA-N
MW477.92 g/mol
LogP4.94
Rot. Bonds7

About 2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 71698713) has the molecular formula C26H21ClFN3O3 and a molecular weight of 477.92 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID71698713
Molecular FormulaC26H21ClFN3O3
Molecular Weight477.92 g/mol
Exact Mass477.13
IUPAC Name2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1cccc(Cc2cc(-c3ccc(Cl)cc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C26H21ClFN3O3/c1-34-23-4-2-3-17(14-23)13-19-15-24(18-5-7-20(27)8-6-18)30-31(26(19)33)16-25(32)29-22-11-9-21(28)10-12-22/h2-12,14-15H,13,16H2,1H3,(H,29,32)
InChIKeyGQCTVNROIUWJCC-UHFFFAOYSA-N
XLogP4.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.92
LogP ≤ 54.94
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)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 71698713) is 2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide is COc1cccc(Cc2cc(-c3ccc(Cl)cc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is GQCTVNROIUWJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3O3/c1-34-23-4-2-3-17(14-23)13-19-15-24(18-5-7-20(27)8-6-18)30-31(26(19)33)16-25(32)29-22-11-9-21(28)10-12-22/h2-12,14-15H,13,16H2,1H3,(H,29,32).
What are the key properties of 2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 477.92 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 71698713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).