2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide

C14H13FN2O2 — CID 155561495

IUPAC2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide
SMILESCc1cc(F)ccc1OCC(=O)Nc1cccnc1
InChIInChI=1S/C14H13FN2O2/c1-10-7-11(15)4-5-13(10)19-9-14(18)17-12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyZNVSJSPLGCRTMY-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide

2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide (PubChem CID 155561495) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide
PubChem CID155561495
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide
SMILESCc1cc(F)ccc1OCC(=O)Nc1cccnc1
InChIInChI=1S/C14H13FN2O2/c1-10-7-11(15)4-5-13(10)19-9-14(18)17-12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyZNVSJSPLGCRTMY-UHFFFAOYSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide (CID 155561495) is 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide is Cc1cc(F)ccc1OCC(=O)Nc1cccnc1.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide?
The InChIKey is ZNVSJSPLGCRTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-10-7-11(15)4-5-13(10)19-9-14(18)17-12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide?
2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide has a molecular weight of 260.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 155561495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).