N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide

C14H12F2N2O2 — CID 59834294

IUPACN-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(F)cc2F)ncc1C
InChIInChI=1S/C14H12F2N2O2/c1-8-7-17-14(6-12(8)18-9(2)19)20-13-4-3-10(15)5-11(13)16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyATIHVVXJRRMMTL-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.42
Rot. Bonds3

About N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide

N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide (PubChem CID 59834294) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide
PubChem CID59834294
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(F)cc2F)ncc1C
InChIInChI=1S/C14H12F2N2O2/c1-8-7-17-14(6-12(8)18-9(2)19)20-13-4-3-10(15)5-11(13)16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyATIHVVXJRRMMTL-UHFFFAOYSA-N
XLogP3.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide (CID 59834294) is N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc(F)cc2F)ncc1C.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide?
The InChIKey is ATIHVVXJRRMMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-8-7-17-14(6-12(8)18-9(2)19)20-13-4-3-10(15)5-11(13)16/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide?
N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide has a molecular weight of 278.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide is sourced from PubChem (CID 59834294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).