2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide

C15H14F3N3O2 — CID 133419312

IUPAC2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C15H14F3N3O2/c1-9(2)14(22)19-10-3-5-11(6-4-10)23-13-8-7-12(20-21-13)15(16,17)18/h3-9H,1-2H3,(H,19,22)
InChIKeyXGAHVZHODNHXMT-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.88
Rot. Bonds4

About 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide

2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide (PubChem CID 133419312) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide
PubChem CID133419312
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C15H14F3N3O2/c1-9(2)14(22)19-10-3-5-11(6-4-10)23-13-8-7-12(20-21-13)15(16,17)18/h3-9H,1-2H3,(H,19,22)
InChIKeyXGAHVZHODNHXMT-UHFFFAOYSA-N
XLogP3.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide 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

2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide
CID 133348025
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
N-methyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]methanamine
CID 106486820
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 119878544
N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide
CID 133348014
2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 170943037
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
CID 111433002
2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
CID 133348005
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-methylpropanamide
CID 86996582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide (CID 133419312) is 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide is CC(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)nn2)cc1.
What is the InChIKey of 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide?
The InChIKey is XGAHVZHODNHXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-9(2)14(22)19-10-3-5-11(6-4-10)23-13-8-7-12(20-21-13)15(16,17)18/h3-9H,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide?
2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide has a molecular weight of 325.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide is sourced from PubChem (CID 133419312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).