2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C13H8Cl2F3N3O2 — CID 5236251

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H8Cl2F3N3O2/c14-8-5-19-21(12(23)11(8)15)6-10(22)20-9-4-2-1-3-7(9)13(16,17)18/h1-5H,6H2,(H,20,22)
InChIKeyUNTDPHUCICMSSU-UHFFFAOYSA-N
MW366.13 g/mol
LogP3.21
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 5236251) has the molecular formula C13H8Cl2F3N3O2 and a molecular weight of 366.13 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID5236251
Molecular FormulaC13H8Cl2F3N3O2
Molecular Weight366.13 g/mol
Exact Mass364.99
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H8Cl2F3N3O2/c14-8-5-19-21(12(23)11(8)15)6-10(22)20-9-4-2-1-3-7(9)13(16,17)18/h1-5H,6H2,(H,20,22)
InChIKeyUNTDPHUCICMSSU-UHFFFAOYSA-N
XLogP3.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2365320
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
CID 2096926
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2585037
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 23601507
2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22693387
2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55989170
4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate
CID 2379329
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3685474
2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520689
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 5236251) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UNTDPHUCICMSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N3O2/c14-8-5-19-21(12(23)11(8)15)6-10(22)20-9-4-2-1-3-7(9)13(16,17)18/h1-5H,6H2,(H,20,22).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 366.13 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 5236251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).