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

C20H21F2NO4 — CID 120529005

IUPAC2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(CC(=O)NCCc1ccc(OCC(=O)O)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H21F2NO4/c1-13(17-7-4-15(21)11-18(17)22)10-19(24)23-9-8-14-2-5-16(6-3-14)27-12-20(25)26/h2-7,11,13H,8-10,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyFWEUULYUXMAZAE-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.28
Rot. Bonds9

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

2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid (PubChem CID 120529005) has the molecular formula C20H21F2NO4 and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
PubChem CID120529005
Molecular FormulaC20H21F2NO4
Molecular Weight377.39 g/mol
Exact Mass377.14
IUPAC Name2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(CC(=O)NCCc1ccc(OCC(=O)O)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H21F2NO4/c1-13(17-7-4-15(21)11-18(17)22)10-19(24)23-9-8-14-2-5-16(6-3-14)27-12-20(25)26/h2-7,11,13H,8-10,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyFWEUULYUXMAZAE-UHFFFAOYSA-N
XLogP3.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255461
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8688787
2-[4-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]phenoxy]acetic acid
CID 119255389
2-(4-fluorophenoxy)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30126016
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255707
2-[3-(2,4-difluorophenyl)butanoylamino]propanoic acid
CID 120523631
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875310
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid (CID 120529005) is 2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid is CC(CC(=O)NCCc1ccc(OCC(=O)O)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid?
The InChIKey is FWEUULYUXMAZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO4/c1-13(17-7-4-15(21)11-18(17)22)10-19(24)23-9-8-14-2-5-16(6-3-14)27-12-20(25)26/h2-7,11,13H,8-10,12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid has a molecular weight of 377.39 g/mol, XLogP of 3.28, 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-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 120529005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).