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

C21H18F3N3O4 — CID 41376583

IUPAC2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c(OC)c1
InChIInChI=1S/C21H18F3N3O4/c1-30-15-7-8-16(18(11-15)31-2)17-9-10-20(29)27(26-17)12-19(28)25-14-5-3-13(4-6-14)21(22,23)24/h3-11H,12H2,1-2H3,(H,25,28)
InChIKeyNZMVRTAFOCMQPZ-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.59
Rot. Bonds6

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

2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 41376583) has the molecular formula C21H18F3N3O4 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID41376583
Molecular FormulaC21H18F3N3O4
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC Name2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c(OC)c1
InChIInChI=1S/C21H18F3N3O4/c1-30-15-7-8-16(18(11-15)31-2)17-9-10-20(29)27(26-17)12-19(28)25-14-5-3-13(4-6-14)21(22,23)24/h3-11H,12H2,1-2H3,(H,25,28)
InChIKeyNZMVRTAFOCMQPZ-UHFFFAOYSA-N
XLogP3.59
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7662654
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51054764
2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51054929
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41376766
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7662101
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7671868
N-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662660
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3,4,5-trifluorophenyl)acetamide
CID 51054144
N-(4-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376671
N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672280
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 41376583) is 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c(OC)c1.
What is the InChIKey of 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NZMVRTAFOCMQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4/c1-30-15-7-8-16(18(11-15)31-2)17-9-10-20(29)27(26-17)12-19(28)25-14-5-3-13(4-6-14)21(22,23)24/h3-11H,12H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 433.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 41376583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).