2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride

C15H22ClFN2O3 — CID 120883699

IUPAC2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
SMILESCCOCCOCC(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-2-20-7-8-21-10-14(19)18-13-4-3-11-9-17-6-5-12(11)15(13)16;/h3-4,17H,2,5-10H2,1H3,(H,18,19);1H
InChIKeyUQOBCUZNUVOUBV-UHFFFAOYSA-N
MW332.80 g/mol
LogP1.88
Rot. Bonds7

About 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride

2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride (PubChem CID 120883699) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
PubChem CID120883699
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
SMILESCCOCCOCC(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-2-20-7-8-21-10-14(19)18-13-4-3-11-9-17-6-5-12(11)15(13)16;/h3-4,17H,2,5-10H2,1H3,(H,18,19);1H
InChIKeyUQOBCUZNUVOUBV-UHFFFAOYSA-N
XLogP1.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
2-cyclopentyloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120882311
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride
CID 120882521
2-(2,5-dimethylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120881318
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744
2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882566
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 120884035
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-N',N'-dipropylbutanediamide
CID 120883280
2-(4-ethylpiperazin-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120883660
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 120881617
2-[ethylsulfonyl(methyl)amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882028

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride (CID 120883699) is 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride is CCOCCOCC(=O)Nc1ccc2c(c1F)CCNC2.Cl.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
The InChIKey is UQOBCUZNUVOUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c1-2-20-7-8-21-10-14(19)18-13-4-3-11-9-17-6-5-12(11)15(13)16;/h3-4,17H,2,5-10H2,1H3,(H,18,19);1H.
What are the key properties of 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride is sourced from PubChem (CID 120883699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).