N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide

C14H11F4N3O2 — CID 121079689

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)n1ncccc1=O
InChIInChI=1S/C14H11F4N3O2/c1-8(21-12(22)3-2-6-19-21)13(23)20-9-4-5-11(15)10(7-9)14(16,17)18/h2-8H,1H3,(H,20,23)
InChIKeyUJGDXVOXIDBLTL-UHFFFAOYSA-N
MW329.25 g/mol
LogP2.60
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide (PubChem CID 121079689) has the molecular formula C14H11F4N3O2 and a molecular weight of 329.25 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide
PubChem CID121079689
Molecular FormulaC14H11F4N3O2
Molecular Weight329.25 g/mol
Exact Mass329.08
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)n1ncccc1=O
InChIInChI=1S/C14H11F4N3O2/c1-8(21-12(22)3-2-6-19-21)13(23)20-9-4-5-11(15)10(7-9)14(16,17)18/h2-8H,1H3,(H,20,23)
InChIKeyUJGDXVOXIDBLTL-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide (CID 121079689) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide is CC(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)n1ncccc1=O.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is UJGDXVOXIDBLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3O2/c1-8(21-12(22)3-2-6-19-21)13(23)20-9-4-5-11(15)10(7-9)14(16,17)18/h2-8H,1H3,(H,20,23).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 329.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 121079689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).