2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide

C20H18FN3O2 — CID 7665908

IUPAC2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C20H18FN3O2/c1-13-3-8-17(14(2)11-13)18-9-10-20(26)24(23-18)12-19(25)22-16-6-4-15(21)5-7-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyODKHNNMYCNDROG-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.30
Rot. Bonds4

About 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 7665908) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID7665908
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C20H18FN3O2/c1-13-3-8-17(14(2)11-13)18-9-10-20(26)24(23-18)12-19(25)22-16-6-4-15(21)5-7-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyODKHNNMYCNDROG-UHFFFAOYSA-N
XLogP3.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
N-(4-fluorobenzyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4582595
N-(2,4-dimethylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 648380
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-o-tolyl-acetamide
CID 745849
N-(4-fluorophenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1999173
2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
CID 44540072
[(1R)-2-(2,4-dimethylphenyl)-1-[[2-(2-fluoro-N-prop-2-enoylanilino)acetyl]amino]ethyl]boronic acid
CID 140880289
N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 2975205
2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3245318
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-fluoroanilino)acetamide
CID 9646485
2-[4-(2,5-Dimethylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-YL]-N-(2-ethylphenyl)acetamide
CID 16014540
2-[3-(2,5-Dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(3-ethylphenyl)acetamide
CID 16014570

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 7665908) is 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)c(C)c1.
What is the InChIKey of 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is ODKHNNMYCNDROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-3-8-17(14(2)11-13)18-9-10-20(26)24(23-18)12-19(25)22-16-6-4-15(21)5-7-16/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 351.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7665908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).