2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide

C14H14FN3O2 — CID 71863410

IUPAC2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1cccnn1
InChIInChI=1S/C14H14FN3O2/c1-2-11(20-12-7-4-3-6-10(12)15)14(19)17-13-8-5-9-16-18-13/h3-9,11H,2H2,1H3,(H,17,18,19)
InChIKeyPBPZQLSFWGRZKD-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.41
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide

2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide (PubChem CID 71863410) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide
PubChem CID71863410
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1cccnn1
InChIInChI=1S/C14H14FN3O2/c1-2-11(20-12-7-4-3-6-10(12)15)14(19)17-13-8-5-9-16-18-13/h3-9,11H,2H2,1H3,(H,17,18,19)
InChIKeyPBPZQLSFWGRZKD-UHFFFAOYSA-N
XLogP2.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide (CID 71863410) is 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide is CCC(Oc1ccccc1F)C(=O)Nc1cccnn1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide?
The InChIKey is PBPZQLSFWGRZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-11(20-12-7-4-3-6-10(12)15)14(19)17-13-8-5-9-16-18-13/h3-9,11H,2H2,1H3,(H,17,18,19).
What are the key properties of 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide?
2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide has a molecular weight of 275.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-pyridazin-3-ylbutanamide is sourced from PubChem (CID 71863410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).