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

C20H22FNO5 — CID 119255707

IUPAC2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
SMILESCCC(Oc1ccccc1F)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C20H22FNO5/c1-2-17(27-18-6-4-3-5-16(18)21)20(25)22-12-11-14-7-9-15(10-8-14)26-13-19(23)24/h3-10,17H,2,11-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyPIGWLKNETZVRMP-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.81
Rot. Bonds10

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

2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid (PubChem CID 119255707) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
PubChem CID119255707
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Name2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
SMILESCCC(Oc1ccccc1F)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C20H22FNO5/c1-2-17(27-18-6-4-3-5-16(18)21)20(25)22-12-11-14-7-9-15(10-8-14)26-13-19(23)24/h3-10,17H,2,11-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyPIGWLKNETZVRMP-UHFFFAOYSA-N
XLogP2.81
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 99818320
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid (CID 119255707) is 2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid is CCC(Oc1ccccc1F)C(=O)NCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid?
The InChIKey is PIGWLKNETZVRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5/c1-2-17(27-18-6-4-3-5-16(18)21)20(25)22-12-11-14-7-9-15(10-8-14)26-13-19(23)24/h3-10,17H,2,11-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid has a molecular weight of 375.40 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).