N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C16H16F3N3O3 — CID 121058968

IUPACN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc(=O)n(CCNC(=O)COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16F3N3O3/c1-11-5-6-15(24)22(21-11)8-7-20-14(23)10-25-13-4-2-3-12(9-13)16(17,18)19/h2-6,9H,7-8,10H2,1H3,(H,20,23)
InChIKeyJFUHYORTVBWBSM-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.77
Rot. Bonds6

About N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 121058968) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID121058968
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc(=O)n(CCNC(=O)COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16F3N3O3/c1-11-5-6-15(24)22(21-11)8-7-20-14(23)10-25-13-4-2-3-12(9-13)16(17,18)19/h2-6,9H,7-8,10H2,1H3,(H,20,23)
InChIKeyJFUHYORTVBWBSM-UHFFFAOYSA-N
XLogP1.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 121051645
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 121058886
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide
CID 90538978
3-[2-(3-methyl-6-oxopyridazin-1-yl)ethoxy]benzoic acid
CID 62923349
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005
N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]propanamide
CID 121078806
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121059030
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 90492162

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 121058968) is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1ccc(=O)n(CCNC(=O)COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is JFUHYORTVBWBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-11-5-6-15(24)22(21-11)8-7-20-14(23)10-25-13-4-2-3-12(9-13)16(17,18)19/h2-6,9H,7-8,10H2,1H3,(H,20,23).
What are the key properties of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 355.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 121058968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).