2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid

C21H17F2NO3 — CID 71515515

IUPAC2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NCc2cc(-c3cccc(F)c3)ccc2F)c1
InChIInChI=1S/C21H17F2NO3/c22-17-4-1-3-14(10-17)15-7-8-20(23)16(9-15)12-24-18-5-2-6-19(11-18)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26)
InChIKeyGEEPKOBTNVSZJG-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.71
Rot. Bonds7

About 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid

2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid (PubChem CID 71515515) has the molecular formula C21H17F2NO3 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid
PubChem CID71515515
Molecular FormulaC21H17F2NO3
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NCc2cc(-c3cccc(F)c3)ccc2F)c1
InChIInChI=1S/C21H17F2NO3/c22-17-4-1-3-14(10-17)15-7-8-20(23)16(9-15)12-24-18-5-2-6-19(11-18)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26)
InChIKeyGEEPKOBTNVSZJG-UHFFFAOYSA-N
XLogP4.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid (CID 71515515) is 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid is O=C(O)COc1cccc(NCc2cc(-c3cccc(F)c3)ccc2F)c1.
What is the InChIKey of 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
The InChIKey is GEEPKOBTNVSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO3/c22-17-4-1-3-14(10-17)15-7-8-20(23)16(9-15)12-24-18-5-2-6-19(11-18)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26).
What are the key properties of 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid has a molecular weight of 369.37 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid is sourced from PubChem (CID 71515515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).