2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide

C13H10F3N3O2 — CID 7593576

IUPAC2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)nn1
InChIInChI=1S/C13H10F3N3O2/c1-21-11-7-6-10(18-19-11)8-2-4-9(5-3-8)17-12(20)13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyCYYZMGKAJRWLOZ-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.65
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide (PubChem CID 7593576) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
PubChem CID7593576
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)nn1
InChIInChI=1S/C13H10F3N3O2/c1-21-11-7-6-10(18-19-11)8-2-4-9(5-3-8)17-12(20)13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyCYYZMGKAJRWLOZ-UHFFFAOYSA-N
XLogP2.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
CID 44291673
N-(2,4-difluorophenyl)-2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7502873
2,2,2-trifluoro-N-(3-(6-methoxypyridazin-3-yl)phenyl)acetamide
CID 7593502
4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593565
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 7593608
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide
CID 7593643
N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 8670453
N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 25812208
1-(2-Fluorophenyl)-3-(3-(6-methoxypyridazin-3-yl)phenyl)urea
CID 25818662
1-(3,4-Difluorophenyl)-3-(3-(6-methoxypyridazin-3-yl)phenyl)urea
CID 25818665
1-(3-(6-Methoxypyridazin-3-yl)phenyl)-3-(p-tolyl)urea
CID 42109887
6-methoxy-N-(4-(trifluoromethyl)phenyl)pyridazine-3-carboxamide
CID 56724386

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide (CID 7593576) is 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide is COc1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)nn1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide?
The InChIKey is CYYZMGKAJRWLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-21-11-7-6-10(18-19-11)8-2-4-9(5-3-8)17-12(20)13(14,15)16/h2-7H,1H3,(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide has a molecular weight of 297.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 7593576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).