[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate

C19H17FN2O4 — CID 7983734

IUPAC[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H17FN2O4/c1-12(18(23)22-17-6-4-3-5-16(17)20)26-19(24)13(2)25-15-9-7-14(11-21)8-10-15/h3-10,12-13H,1-2H3,(H,22,23)/t12-,13+/m0/s1
InChIKeyMRKYAPWRSJBFHX-QWHCGFSZSA-N
MW356.35 g/mol
LogP3.04
Rot. Bonds6

About [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate (PubChem CID 7983734) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
PubChem CID7983734
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H17FN2O4/c1-12(18(23)22-17-6-4-3-5-16(17)20)26-19(24)13(2)25-15-9-7-14(11-21)8-10-15/h3-10,12-13H,1-2H3,(H,22,23)/t12-,13+/m0/s1
InChIKeyMRKYAPWRSJBFHX-QWHCGFSZSA-N
XLogP3.04
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-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

[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8856462
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855742
[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855488
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791202
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
[(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855648
2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51158907
[(2S)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855281
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983859
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855250

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate (CID 7983734) is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate is C[C@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate?
The InChIKey is MRKYAPWRSJBFHX-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-12(18(23)22-17-6-4-3-5-16(17)20)26-19(24)13(2)25-15-9-7-14(11-21)8-10-15/h3-10,12-13H,1-2H3,(H,22,23)/t12-,13+/m0/s1.
What are the key properties of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate?
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate has a molecular weight of 356.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7983734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).