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

C22H19F2NO3 — CID 89444032

IUPAC2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid
SMILESCc1cc(-c2cccc(F)c2)cc(CNc2cccc(OCC(=O)O)c2)c1F
InChIInChI=1S/C22H19F2NO3/c1-14-8-16(15-4-2-5-18(23)10-15)9-17(22(14)24)12-25-19-6-3-7-20(11-19)28-13-21(26)27/h2-11,25H,12-13H2,1H3,(H,26,27)
InChIKeyURRDVLVLRJSDAH-UHFFFAOYSA-N
MW383.39 g/mol
LogP5.02
Rot. Bonds7

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

2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid (PubChem CID 89444032) has the molecular formula C22H19F2NO3 and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid
PubChem CID89444032
Molecular FormulaC22H19F2NO3
Molecular Weight383.39 g/mol
Exact Mass383.13
IUPAC Name2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid
SMILESCc1cc(-c2cccc(F)c2)cc(CNc2cccc(OCC(=O)O)c2)c1F
InChIInChI=1S/C22H19F2NO3/c1-14-8-16(15-4-2-5-18(23)10-15)9-17(22(14)24)12-25-19-6-3-7-20(11-19)28-13-21(26)27/h2-11,25H,12-13H2,1H3,(H,26,27)
InChIKeyURRDVLVLRJSDAH-UHFFFAOYSA-N
XLogP5.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.39
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
CID 103866111
2-[2,4-difluoro-3-[[5-(3-fluorophenyl)-2-hydroxyphenyl]methylamino]phenoxy]acetic acid
CID 89443598
2-[3-[[2-chloro-5-(3-fluorophenyl)phenyl]methylamino]-2,4-difluorophenoxy]acetic acid
CID 89443417
2-[2,4-difluoro-3-[[2-fluoro-3-(3-fluorophenyl)-6-methylphenyl]methylamino]phenoxy]acetic acid;2-[2,4-difluoro-3-[(2-fluoro-5-phenylphenyl)methylamino]phenoxy]acetic acid
CID 89444021
2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid
CID 115461455
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 103960910
2-[3-[(4-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 62136451
2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid
CID 59654625
2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid (CID 89444032) is 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid is Cc1cc(-c2cccc(F)c2)cc(CNc2cccc(OCC(=O)O)c2)c1F.
What is the InChIKey of 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid?
The InChIKey is URRDVLVLRJSDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO3/c1-14-8-16(15-4-2-5-18(23)10-15)9-17(22(14)24)12-25-19-6-3-7-20(11-19)28-13-21(26)27/h2-11,25H,12-13H2,1H3,(H,26,27).
What are the key properties of 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid?
2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]phenoxy]acetic acid has a molecular weight of 383.39 g/mol, XLogP of 5.02, 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)-3-methylphenyl]methylamino]phenoxy]acetic acid is sourced from PubChem (CID 89444032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).