2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid

C26H24FNO4 — CID 90960735

IUPAC2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCCONC2=CCCc3cc(-c4ccccc4)ccc32)c1F
InChIInChI=1S/C26H24FNO4/c27-26-21(17-25(29)30)9-5-11-24(26)31-14-15-32-28-23-10-4-8-20-16-19(12-13-22(20)23)18-6-2-1-3-7-18/h1-3,5-7,9-13,16,28H,4,8,14-15,17H2,(H,29,30)
InChIKeyGPKQAOQYACYVMM-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.01
Rot. Bonds9

About 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid

2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid (PubChem CID 90960735) has the molecular formula C26H24FNO4 and a molecular weight of 433.48 g/mol. Its IUPAC name is 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid
PubChem CID90960735
Molecular FormulaC26H24FNO4
Molecular Weight433.48 g/mol
Exact Mass433.17
IUPAC Name2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCCONC2=CCCc3cc(-c4ccccc4)ccc32)c1F
InChIInChI=1S/C26H24FNO4/c27-26-21(17-25(29)30)9-5-11-24(26)31-14-15-32-28-23-10-4-8-20-16-19(12-13-22(20)23)18-6-2-1-3-7-18/h1-3,5-7,9-13,16,28H,4,8,14-15,17H2,(H,29,30)
InChIKeyGPKQAOQYACYVMM-UHFFFAOYSA-N
XLogP5.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid (CID 90960735) is 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid is O=C(O)Cc1cccc(OCCONC2=CCCc3cc(-c4ccccc4)ccc32)c1F.
What is the InChIKey of 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid?
The InChIKey is GPKQAOQYACYVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO4/c27-26-21(17-25(29)30)9-5-11-24(26)31-14-15-32-28-23-10-4-8-20-16-19(12-13-22(20)23)18-6-2-1-3-7-18/h1-3,5-7,9-13,16,28H,4,8,14-15,17H2,(H,29,30).
What are the key properties of 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid?
2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid has a molecular weight of 433.48 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydronaphthalen-1-yl)amino]oxyethoxy]phenyl]acetic acid is sourced from PubChem (CID 90960735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).