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

C22H20FNO4 — CID 155541840

IUPAC2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESCOc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1
InChIInChI=1S/C22H20FNO4/c1-27-20-8-3-2-7-18(20)16-6-4-5-15(11-16)13-24-17-9-10-21(19(23)12-17)28-14-22(25)26/h2-12,24H,13-14H2,1H3,(H,25,26)
InChIKeyQOAIFZLECJHENT-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.58
Rot. Bonds8

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

2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid (PubChem CID 155541840) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid
PubChem CID155541840
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Name2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESCOc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1
InChIInChI=1S/C22H20FNO4/c1-27-20-8-3-2-7-18(20)16-6-4-5-15(11-16)13-24-17-9-10-21(19(23)12-17)28-14-22(25)26/h2-12,24H,13-14H2,1H3,(H,25,26)
InChIKeyQOAIFZLECJHENT-UHFFFAOYSA-N
XLogP4.58
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
3-[4-({[4'-(2-Ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}amino)-2-fluorophenyl]propanoic acid hydrochloride
CID 57413376
2-[4-[2-(3-Tert-butylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid
CID 122189683
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid (CID 155541840) is 2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid is COc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1.
What is the InChIKey of 2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid?
The InChIKey is QOAIFZLECJHENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4/c1-27-20-8-3-2-7-18(20)16-6-4-5-15(11-16)13-24-17-9-10-21(19(23)12-17)28-14-22(25)26/h2-12,24H,13-14H2,1H3,(H,25,26).
What are the key properties of 2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid?
2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid has a molecular weight of 381.40 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[3-(2-methoxyphenyl)phenyl]methylamino]phenoxy]acetic acid is sourced from PubChem (CID 155541840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).