N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide

C13H10F3N3O — CID 58425671

IUPACN-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide
SMILESO=C(Cc1c(F)ccc(F)c1F)NCc1cccnn1
InChIInChI=1S/C13H10F3N3O/c14-10-3-4-11(15)13(16)9(10)6-12(20)17-7-8-2-1-5-18-19-8/h1-5H,6-7H2,(H,17,20)
InChIKeyKKNSDFXZQFLHTR-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.75
Rot. Bonds4

About N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide

N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide (PubChem CID 58425671) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide
PubChem CID58425671
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide
SMILESO=C(Cc1c(F)ccc(F)c1F)NCc1cccnn1
InChIInChI=1S/C13H10F3N3O/c14-10-3-4-11(15)13(16)9(10)6-12(20)17-7-8-2-1-5-18-19-8/h1-5H,6-7H2,(H,17,20)
InChIKeyKKNSDFXZQFLHTR-UHFFFAOYSA-N
XLogP1.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide (CID 58425671) is N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide is O=C(Cc1c(F)ccc(F)c1F)NCc1cccnn1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide?
The InChIKey is KKNSDFXZQFLHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-10-3-4-11(15)13(16)9(10)6-12(20)17-7-8-2-1-5-18-19-8/h1-5H,6-7H2,(H,17,20).
What are the key properties of N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide?
N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide has a molecular weight of 281.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-2-(2,3,6-trifluorophenyl)acetamide is sourced from PubChem (CID 58425671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).