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

C18H20ClFN2O2 — CID 120883647

IUPAC2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C18H19FN2O2.ClH/c1-2-23-16-6-4-3-5-14(16)18(22)21-15-8-7-12-11-20-10-9-13(12)17(15)19;/h3-8,20H,2,9-11H2,1H3,(H,21,22);1H
InChIKeyCDCDOEIAABIZAO-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.54
Rot. Bonds4

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

2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride (PubChem CID 120883647) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
PubChem CID120883647
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C18H19FN2O2.ClH/c1-2-23-16-6-4-3-5-14(16)18(22)21-15-8-7-12-11-20-10-9-13(12)17(15)19;/h3-8,20H,2,9-11H2,1H3,(H,21,22);1H
InChIKeyCDCDOEIAABIZAO-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propoxybenzamide;hydrochloride
CID 120881103
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716
2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882566
N-[1-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 120881100
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789
1-(2-ethoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 120884012
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 120882309
2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883699
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
4-butan-2-yloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120882245
2-(1-ethoxyethyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120882813
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride (CID 120883647) is 2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride is CCOc1ccccc1C(=O)Nc1ccc2c(c1F)CCNC2.Cl.
What is the InChIKey of 2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride?
The InChIKey is CDCDOEIAABIZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2.ClH/c1-2-23-16-6-4-3-5-14(16)18(22)21-15-8-7-12-11-20-10-9-13(12)17(15)19;/h3-8,20H,2,9-11H2,1H3,(H,21,22);1H.
What are the key properties of 2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride?
2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride has a molecular weight of 350.82 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride is sourced from PubChem (CID 120883647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).