2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide

C15H19ClN2O2 — CID 107486794

IUPAC2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCCC1=CCNCC1
InChIInChI=1S/C15H19ClN2O2/c16-13-2-1-3-14(10-13)20-11-15(19)18-9-6-12-4-7-17-8-5-12/h1-4,10,17H,5-9,11H2,(H,18,19)
InChIKeyPFZHBQGZMHEXKT-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.14
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide

2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (PubChem CID 107486794) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
PubChem CID107486794
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCCC1=CCNCC1
InChIInChI=1S/C15H19ClN2O2/c16-13-2-1-3-14(10-13)20-11-15(19)18-9-6-12-4-7-17-8-5-12/h1-4,10,17H,5-9,11H2,(H,18,19)
InChIKeyPFZHBQGZMHEXKT-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
4-[(3-chlorophenoxy)methyl]-1,2,3,6-tetrahydropyridine
CID 117125457
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955083
5-chloro-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486985
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107487272
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
CID 107487182
2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112778726

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (CID 107486794) is 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is O=C(COc1cccc(Cl)c1)NCCC1=CCNCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The InChIKey is PFZHBQGZMHEXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-2-1-3-14(10-13)20-11-15(19)18-9-6-12-4-7-17-8-5-12/h1-4,10,17H,5-9,11H2,(H,18,19).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide has a molecular weight of 294.78 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is sourced from PubChem (CID 107486794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).