N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide

C15H14F3N3O3 — CID 146078618

IUPACN-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)12-6-7-14(23)21(20-12)9-8-19-13(22)10-24-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,22)
InChIKeyLHIDFAGGDMSHOS-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.46
Rot. Bonds6

About N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide

N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide (PubChem CID 146078618) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide
PubChem CID146078618
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC NameN-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)12-6-7-14(23)21(20-12)9-8-19-13(22)10-24-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,22)
InChIKeyLHIDFAGGDMSHOS-UHFFFAOYSA-N
XLogP1.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide (CID 146078618) is N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCn1nc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is LHIDFAGGDMSHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c16-15(17,18)12-6-7-14(23)21(20-12)9-8-19-13(22)10-24-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,22).
What are the key properties of N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide?
N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 341.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 146078618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).