[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate

C19H20FNO5 — CID 7856676

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
SMILESCCOc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H20FNO5/c1-2-24-16-5-3-4-6-17(16)25-12-11-19(23)26-13-18(22)21-15-9-7-14(20)8-10-15/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyIWCWCOTYLCTIAK-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.18
Rot. Bonds9

About [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate

[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate (PubChem CID 7856676) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
PubChem CID7856676
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
SMILESCCOc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H20FNO5/c1-2-24-16-5-3-4-6-17(16)25-12-11-19(23)26-13-18(22)21-15-9-7-14(20)8-10-15/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyIWCWCOTYLCTIAK-UHFFFAOYSA-N
XLogP3.18
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856589
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856618
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate
CID 42965974
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856024
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856622
[2-(4-fluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133158
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844626
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate (CID 7856676) is [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate is CCOc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
The InChIKey is IWCWCOTYLCTIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-2-24-16-5-3-4-6-17(16)25-12-11-19(23)26-13-18(22)21-15-9-7-14(20)8-10-15/h3-10H,2,11-13H2,1H3,(H,21,22).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate has a molecular weight of 361.37 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate is sourced from PubChem (CID 7856676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).