[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate

C20H19FN2O4 — CID 8506017

IUPAC[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESCCN(C(=O)COC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O4/c1-3-23(17-8-6-16(21)7-9-17)19(24)13-26-20(25)14(2)27-18-10-4-15(12-22)5-11-18/h4-11,14H,3,13H2,1-2H3/t14-/m0/s1
InChIKeyXYODDVXBWJHJAX-AWEZNQCLSA-N
MW370.38 g/mol
LogP3.06
Rot. Bonds7

About [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate (PubChem CID 8506017) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
PubChem CID8506017
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESCCN(C(=O)COC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O4/c1-3-23(17-8-6-16(21)7-9-17)19(24)13-26-20(25)14(2)27-18-10-4-15(12-22)5-11-18/h4-11,14H,3,13H2,1-2H3/t14-/m0/s1
InChIKeyXYODDVXBWJHJAX-AWEZNQCLSA-N
XLogP3.06
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate 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-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983674
2-(4-fluorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977972
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983913
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983960
(3,3-dimethyl-2-oxobutyl) (2S)-2-(4-cyanophenoxy)propanoate
CID 7984032
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984059
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487236
[2-(2,4-difluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984106
[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 47003917
[2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 40617317

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate (CID 8506017) is [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate is CCN(C(=O)COC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(F)cc1.
What is the InChIKey of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The InChIKey is XYODDVXBWJHJAX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-3-23(17-8-6-16(21)7-9-17)19(24)13-26-20(25)14(2)27-18-10-4-15(12-22)5-11-18/h4-11,14H,3,13H2,1-2H3/t14-/m0/s1.
What are the key properties of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate?
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate has a molecular weight of 370.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 8506017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).