3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid

C20H16N2O4 — CID 146128887

IUPAC3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
SMILESO=C(Cc1cccc(C(=O)O)c1)Nc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C20H16N2O4/c23-18(12-14-5-3-6-15(11-14)20(24)25)22-16-7-4-8-17(13-16)26-19-9-1-2-10-21-19/h1-11,13H,12H2,(H,22,23)(H,24,25)
InChIKeyIJRDDFHZACRQOI-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.75
Rot. Bonds6

About 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid

3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid (PubChem CID 146128887) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
PubChem CID146128887
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
SMILESO=C(Cc1cccc(C(=O)O)c1)Nc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C20H16N2O4/c23-18(12-14-5-3-6-15(11-14)20(24)25)22-16-7-4-8-17(13-16)26-19-9-1-2-10-21-19/h1-11,13H,12H2,(H,22,23)(H,24,25)
InChIKeyIJRDDFHZACRQOI-UHFFFAOYSA-N
XLogP3.75
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid?
The IUPAC name of 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid (CID 146128887) is 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid.
What is the SMILES notation for 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid?
The canonical SMILES for 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid is O=C(Cc1cccc(C(=O)O)c1)Nc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid?
The InChIKey is IJRDDFHZACRQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-18(12-14-5-3-6-15(11-14)20(24)25)22-16-7-4-8-17(13-16)26-19-9-1-2-10-21-19/h1-11,13H,12H2,(H,22,23)(H,24,25).
What are the key properties of 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid?
3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid has a molecular weight of 348.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid is sourced from PubChem (CID 146128887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).