(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide

C17H17FN2O3 — CID 94047744

IUPAC(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)N[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C17H17FN2O3/c1-11(23-14-9-5-8-13(18)10-14)17(22)20-15(16(19)21)12-6-3-2-4-7-12/h2-11,15H,1H3,(H2,19,21)(H,20,22)/t11-,15-/m0/s1
InChIKeyOAZHDWJOALHTLH-NHYWBVRUSA-N
MW316.33 g/mol
LogP1.94
Rot. Bonds6

About (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide

(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide (PubChem CID 94047744) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide
PubChem CID94047744
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)N[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C17H17FN2O3/c1-11(23-14-9-5-8-13(18)10-14)17(22)20-15(16(19)21)12-6-3-2-4-7-12/h2-11,15H,1H3,(H2,19,21)(H,20,22)/t11-,15-/m0/s1
InChIKeyOAZHDWJOALHTLH-NHYWBVRUSA-N
XLogP1.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-2-[2-(3-fluorophenoxy)propanoylamino]-4-oxobutanoic acid
CID 107821491
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246472
(2S)-2-[2-(3-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61155162
(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide
CID 94058730
N-(2-amino-2-oxo-1-phenylethyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 51315223
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide (CID 94047744) is (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide is C[C@H](Oc1cccc(F)c1)C(=O)N[C@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide?
The InChIKey is OAZHDWJOALHTLH-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(23-14-9-5-8-13(18)10-14)17(22)20-15(16(19)21)12-6-3-2-4-7-12/h2-11,15H,1H3,(H2,19,21)(H,20,22)/t11-,15-/m0/s1.
What are the key properties of (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide?
(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide has a molecular weight of 316.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 94047744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).