2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide

C18H17FN4O2 — CID 71807923

IUPAC2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1F)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C18H17FN4O2/c19-14-5-1-2-7-17(14)25-13-18(24)21-10-12-23-11-8-16(22-23)15-6-3-4-9-20-15/h1-9,11H,10,12-13H2,(H,21,24)
InChIKeyXCIHRRCAQQEBJF-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.28
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide

2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 71807923) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID71807923
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1F)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C18H17FN4O2/c19-14-5-1-2-7-17(14)25-13-18(24)21-10-12-23-11-8-16(22-23)15-6-3-4-9-20-15/h1-9,11H,10,12-13H2,(H,21,24)
InChIKeyXCIHRRCAQQEBJF-UHFFFAOYSA-N
XLogP2.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide (CID 71807923) is 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide is O=C(COc1ccccc1F)NCCn1ccc(-c2ccccn2)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is XCIHRRCAQQEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-14-5-1-2-7-17(14)25-13-18(24)21-10-12-23-11-8-16(22-23)15-6-3-4-9-20-15/h1-9,11H,10,12-13H2,(H,21,24).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 71807923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).