2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid

C20H22FNO4 — CID 119255461

IUPAC2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(CC(=O)NCCc1ccc(OCC(=O)O)cc1)c1cccc(F)c1
InChIInChI=1S/C20H22FNO4/c1-14(16-3-2-4-17(21)12-16)11-19(23)22-10-9-15-5-7-18(8-6-15)26-13-20(24)25/h2-8,12,14H,9-11,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyCGMGGSAVGOZCPG-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.14
Rot. Bonds9

About 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid

2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid (PubChem CID 119255461) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
PubChem CID119255461
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(CC(=O)NCCc1ccc(OCC(=O)O)cc1)c1cccc(F)c1
InChIInChI=1S/C20H22FNO4/c1-14(16-3-2-4-17(21)12-16)11-19(23)22-10-9-15-5-7-18(8-6-15)26-13-20(24)25/h2-8,12,14H,9-11,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyCGMGGSAVGOZCPG-UHFFFAOYSA-N
XLogP3.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
CID 120529005
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
4-[4-[[3-(3-fluorophenyl)butanoylamino]methyl]phenoxy]butanoic acid
CID 119247039
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
CID 86961979
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
2-[4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]phenoxy]acetic acid
CID 120528991
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid (CID 119255461) is 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid is CC(CC(=O)NCCc1ccc(OCC(=O)O)cc1)c1cccc(F)c1.
What is the InChIKey of 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid?
The InChIKey is CGMGGSAVGOZCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-14(16-3-2-4-17(21)12-16)11-19(23)22-10-9-15-5-7-18(8-6-15)26-13-20(24)25/h2-8,12,14H,9-11,13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid has a molecular weight of 359.40 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).