2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid

C21H17F2NO3 — CID 155535186

IUPAC2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NCc2cccc(-c3ccccc3F)c2)cc1F
InChIInChI=1S/C21H17F2NO3/c22-18-7-2-1-6-17(18)15-5-3-4-14(10-15)12-24-16-8-9-20(19(23)11-16)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26)
InChIKeyBYJIABWRZGZTNI-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.71
Rot. Bonds7

About 2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid

2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid (PubChem CID 155535186) has the molecular formula C21H17F2NO3 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid
PubChem CID155535186
Molecular FormulaC21H17F2NO3
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NCc2cccc(-c3ccccc3F)c2)cc1F
InChIInChI=1S/C21H17F2NO3/c22-18-7-2-1-6-17(18)15-5-3-4-14(10-15)12-24-16-8-9-20(19(23)11-16)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26)
InChIKeyBYJIABWRZGZTNI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2-Oxo-2-{[4-(2-phenylethoxy)phenyl]amino}ethoxy)acetic acid
CID 5034646
2-[2-Fluoro-4-[[3-(2-methyl-4-propoxyphenyl)phenyl]methylamino]phenoxy]acetic acid
CID 146695343
2-[4-[[3-[2,6-Dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methylamino]-2-fluorophenoxy]acetic acid
CID 146763588
2-[2-Fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid
CID 147146439
2-[4-[[3-(4-Ethoxy-2-methylphenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
CID 147329931
2-[4-[[3-(2,6-Dimethyl-4-propoxyphenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
CID 147747458
2-[2-Fluoro-4-[[3-(2-propan-2-ylphenyl)phenyl]methylamino]phenoxy]acetic acid
CID 148173135
2-[2-Fluoro-4-[[3-[4-(2-methoxyethoxy)-2,6-dimethylphenyl]phenyl]methylamino]phenoxy]acetic acid
CID 148485044
2-[4-[[3-(4-Ethoxy-2,6-dimethylphenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
CID 149144496
2-[4-[[3-(2-Chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
CID 149454889
2-[2-Fluoro-4-[(3-phenylphenyl)methylamino]phenoxy]acetic acid
CID 153213696
2-[4-[[3-(2-Cyanophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
CID 153272850

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid (CID 155535186) is 2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid is O=C(O)COc1ccc(NCc2cccc(-c3ccccc3F)c2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
The InChIKey is BYJIABWRZGZTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO3/c22-18-7-2-1-6-17(18)15-5-3-4-14(10-15)12-24-16-8-9-20(19(23)11-16)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26).
What are the key properties of 2-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
2-[2-fluoro-4-[[3-(2-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-[2-fluoro-4-[[3-(2-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid is sourced from PubChem (CID 155535186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).