5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one

C18H13F3N2O2 — CID 118025186

IUPAC5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one
SMILESCc1c(F)c(-c2cc(N)ccc2Oc2ccc(F)cc2F)c[nH]c1=O
InChIInChI=1S/C18H13F3N2O2/c1-9-17(21)13(8-23-18(9)24)12-7-11(22)3-5-15(12)25-16-4-2-10(19)6-14(16)20/h2-8H,22H2,1H3,(H,23,24)
InChIKeyKXNIAOFDRUQQNS-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.14
Rot. Bonds3

About 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one

5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one (PubChem CID 118025186) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one
PubChem CID118025186
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one
SMILESCc1c(F)c(-c2cc(N)ccc2Oc2ccc(F)cc2F)c[nH]c1=O
InChIInChI=1S/C18H13F3N2O2/c1-9-17(21)13(8-23-18(9)24)12-7-11(22)3-5-15(12)25-16-4-2-10(19)6-14(16)20/h2-8H,22H2,1H3,(H,23,24)
InChIKeyKXNIAOFDRUQQNS-UHFFFAOYSA-N
XLogP4.14
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one (CID 118025186) is 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one is Cc1c(F)c(-c2cc(N)ccc2Oc2ccc(F)cc2F)c[nH]c1=O.
What is the InChIKey of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one?
The InChIKey is KXNIAOFDRUQQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-9-17(21)13(8-23-18(9)24)12-7-11(22)3-5-15(12)25-16-4-2-10(19)6-14(16)20/h2-8H,22H2,1H3,(H,23,24).
What are the key properties of 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one?
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one has a molecular weight of 346.31 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118025186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).