2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide

C16H17ClN2O2 — CID 10990375

IUPAC2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide
SMILESCC(Oc1cccnc1Cl)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-12(21-14-8-5-10-18-15(14)17)16(20)19-11-9-13-6-3-2-4-7-13/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyBQCQFFSXODKXJS-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.86
Rot. Bonds6

About 2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide

2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide (PubChem CID 10990375) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide
PubChem CID10990375
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide
SMILESCC(Oc1cccnc1Cl)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-12(21-14-8-5-10-18-15(14)17)16(20)19-11-9-13-6-3-2-4-7-13/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyBQCQFFSXODKXJS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 65102583
2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide
CID 46447544
(2R)-2-(2-ethylphenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 38000919
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 46466389
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138644
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100541446
N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44999763

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide (CID 10990375) is 2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide is CC(Oc1cccnc1Cl)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide?
The InChIKey is BQCQFFSXODKXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12(21-14-8-5-10-18-15(14)17)16(20)19-11-9-13-6-3-2-4-7-13/h2-8,10,12H,9,11H2,1H3,(H,19,20).
What are the key properties of 2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide?
2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)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-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 10990375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).