5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one

C20H18F2N2O3 — CID 90027213

IUPAC5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cc(N)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N2O3/c1-3-26-19-10-20(25)24(2)11-15(19)14-8-12(23)4-7-18(14)27-13-5-6-16(21)17(22)9-13/h4-11H,3,23H2,1-2H3
InChIKeyZDOBJQCSTNHKII-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.10
Rot. Bonds5

About 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one

5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one (PubChem CID 90027213) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one
PubChem CID90027213
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cc(N)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N2O3/c1-3-26-19-10-20(25)24(2)11-15(19)14-8-12(23)4-7-18(14)27-13-5-6-16(21)17(22)9-13/h4-11H,3,23H2,1-2H3
InChIKeyZDOBJQCSTNHKII-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one (CID 90027213) is 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cc(N)ccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one?
The InChIKey is ZDOBJQCSTNHKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-3-26-19-10-20(25)24(2)11-15(19)14-8-12(23)4-7-18(14)27-13-5-6-16(21)17(22)9-13/h4-11H,3,23H2,1-2H3.
What are the key properties of 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one?
5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one has a molecular weight of 372.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one is sourced from PubChem (CID 90027213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).