5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one

C19H16F2N2O2 — CID 134310813

IUPAC5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one
SMILESCc1cc(F)ccc1Oc1ccc(N)cc1-c1cn(C)c(=O)cc1F
InChIInChI=1S/C19H16F2N2O2/c1-11-7-12(20)3-5-17(11)25-18-6-4-13(22)8-14(18)15-10-23(2)19(24)9-16(15)21/h3-10H,22H2,1-2H3
InChIKeyDQJLKMUMKYWEMA-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.01
Rot. Bonds3

About 5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one

5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one (PubChem CID 134310813) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one
PubChem CID134310813
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one
SMILESCc1cc(F)ccc1Oc1ccc(N)cc1-c1cn(C)c(=O)cc1F
InChIInChI=1S/C19H16F2N2O2/c1-11-7-12(20)3-5-17(11)25-18-6-4-13(22)8-14(18)15-10-23(2)19(24)9-16(15)21/h3-10H,22H2,1-2H3
InChIKeyDQJLKMUMKYWEMA-UHFFFAOYSA-N
XLogP4.01
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one (CID 134310813) is 5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one is Cc1cc(F)ccc1Oc1ccc(N)cc1-c1cn(C)c(=O)cc1F.
What is the InChIKey of 5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one?
The InChIKey is DQJLKMUMKYWEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-11-7-12(20)3-5-17(11)25-18-6-4-13(22)8-14(18)15-10-23(2)19(24)9-16(15)21/h3-10H,22H2,1-2H3.
What are the key properties of 5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one?
5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one has a molecular weight of 342.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 134310813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).