(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

C18H17FN2O2 — CID 7964302

IUPAC(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1cccc(C#N)c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c1-13(23-17-4-2-3-15(11-17)12-20)18(22)21-10-9-14-5-7-16(19)8-6-14/h2-8,11,13H,9-10H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyJFXIOFMFNWRGIS-ZDUSSCGKSA-N
MW312.34 g/mol
LogP2.82
Rot. Bonds6

About (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 7964302) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID7964302
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1cccc(C#N)c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c1-13(23-17-4-2-3-15(11-17)12-20)18(22)21-10-9-14-5-7-16(19)8-6-14/h2-8,11,13H,9-10H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyJFXIOFMFNWRGIS-ZDUSSCGKSA-N
XLogP2.82
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
CID 112786440
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 7865303
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4819958
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 8018515
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86843627
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3-cyanobenzoate
CID 55420830
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 7964302) is (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is C[C@H](Oc1cccc(C#N)c1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is JFXIOFMFNWRGIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-13(23-17-4-2-3-15(11-17)12-20)18(22)21-10-9-14-5-7-16(19)8-6-14/h2-8,11,13H,9-10H2,1H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 312.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 7964302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).