2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide

C16H17ClN2O2 — CID 46447544

IUPAC2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCc1cccnc1
InChIInChI=1S/C16H17ClN2O2/c1-12(21-15-7-3-2-6-14(15)17)16(20)19-10-8-13-5-4-9-18-11-13/h2-7,9,11-12H,8,10H2,1H3,(H,19,20)
InChIKeyXYXYWXGAUONUFJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.86
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide

2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide (PubChem CID 46447544) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide
PubChem CID46447544
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCc1cccnc1
InChIInChI=1S/C16H17ClN2O2/c1-12(21-15-7-3-2-6-14(15)17)16(20)19-10-8-13-5-4-9-18-11-13/h2-7,9,11-12H,8,10H2,1H3,(H,19,20)
InChIKeyXYXYWXGAUONUFJ-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide
CID 10990375
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 46466389
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide (CID 46447544) is 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide is CC(Oc1ccccc1Cl)C(=O)NCCc1cccnc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide?
The InChIKey is XYXYWXGAUONUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12(21-15-7-3-2-6-14(15)17)16(20)19-10-8-13-5-4-9-18-11-13/h2-7,9,11-12H,8,10H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide?
2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide has a molecular weight of 304.78 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 46447544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).