(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

C16H17FN2O2 — CID 31885014

IUPAC(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C16H17FN2O2/c1-11(13-7-9-18-10-8-13)19-16(20)12(2)21-15-6-4-3-5-14(15)17/h3-12H,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyQODWYWFEIIQUKO-RYUDHWBXSA-N
MW288.32 g/mol
LogP2.87
Rot. Bonds5

About (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (PubChem CID 31885014) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
PubChem CID31885014
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C16H17FN2O2/c1-11(13-7-9-18-10-8-13)19-16(20)12(2)21-15-6-4-3-5-14(15)17/h3-12H,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyQODWYWFEIIQUKO-RYUDHWBXSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
CID 7501082
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 40636207
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(2S)-2-[2-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144253
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
(2S)-2-(2,3-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7372385
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (CID 31885014) is (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is C[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is QODWYWFEIIQUKO-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(13-7-9-18-10-8-13)19-16(20)12(2)21-15-6-4-3-5-14(15)17/h3-12H,1-2H3,(H,19,20)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 288.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 31885014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).