2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide

C15H14F3N3O2 — CID 18589518

IUPAC2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
SMILESCc1ccc(-c2ccc(OCCNC(=O)C(F)(F)F)nn2)cc1
InChIInChI=1S/C15H14F3N3O2/c1-10-2-4-11(5-3-10)12-6-7-13(21-20-12)23-9-8-19-14(22)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,22)
InChIKeyKQIPEYPTAHOMLN-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.51
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide

2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide (PubChem CID 18589518) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
PubChem CID18589518
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
SMILESCc1ccc(-c2ccc(OCCNC(=O)C(F)(F)F)nn2)cc1
InChIInChI=1S/C15H14F3N3O2/c1-10-2-4-11(5-3-10)12-6-7-13(21-20-12)23-9-8-19-14(22)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,22)
InChIKeyKQIPEYPTAHOMLN-UHFFFAOYSA-N
XLogP2.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide
CID 18589504
3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 26845123
2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 26845125
3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide
CID 18589523
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 26845120
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589538
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589564
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide
CID 41246392
4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 27564835
2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589577

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide (CID 18589518) is 2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide is Cc1ccc(-c2ccc(OCCNC(=O)C(F)(F)F)nn2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide?
The InChIKey is KQIPEYPTAHOMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-10-2-4-11(5-3-10)12-6-7-13(21-20-12)23-9-8-19-14(22)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,22).
What are the key properties of 2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide?
2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide has a molecular weight of 325.29 g/mol, XLogP of 2.51, 5 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-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide is sourced from PubChem (CID 18589518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).