2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C20H16F3N3O3 — CID 3525303

IUPAC2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C20H16F3N3O3/c1-29-14-8-6-13(7-9-14)16-10-11-19(28)26(25-16)12-18(27)24-17-5-3-2-4-15(17)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyFTXXUFKXNVIZDX-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.58
Rot. Bonds5

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

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3525303) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3525303
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C20H16F3N3O3/c1-29-14-8-6-13(7-9-14)16-10-11-19(28)26(25-16)12-18(27)24-17-5-3-2-4-15(17)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyFTXXUFKXNVIZDX-UHFFFAOYSA-N
XLogP3.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3525303) is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FTXXUFKXNVIZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-29-14-8-6-13(7-9-14)16-10-11-19(28)26(25-16)12-18(27)24-17-5-3-2-4-15(17)20(21,22)23/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 403.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3525303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).