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

C18H20ClFN2O3 — CID 120882521

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride
SMILESCOc1cccc(OCC(=O)Nc2ccc3c(c2F)CCNC3)c1.Cl
InChIInChI=1S/C18H19FN2O3.ClH/c1-23-13-3-2-4-14(9-13)24-11-17(22)21-16-6-5-12-10-20-8-7-15(12)18(16)19;/h2-6,9,20H,7-8,10-11H2,1H3,(H,21,22);1H
InChIKeySYLNIEJJCNHKBE-UHFFFAOYSA-N
MW366.82 g/mol
LogP2.92
Rot. Bonds5

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

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride (PubChem CID 120882521) has the molecular formula C18H20ClFN2O3 and a molecular weight of 366.82 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride
PubChem CID120882521
Molecular FormulaC18H20ClFN2O3
Molecular Weight366.82 g/mol
Exact Mass366.11
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride
SMILESCOc1cccc(OCC(=O)Nc2ccc3c(c2F)CCNC3)c1.Cl
InChIInChI=1S/C18H19FN2O3.ClH/c1-23-13-3-2-4-14(9-13)24-11-17(22)21-16-6-5-12-10-20-8-7-15(12)18(16)19;/h2-6,9,20H,7-8,10-11H2,1H3,(H,21,22);1H
InChIKeySYLNIEJJCNHKBE-UHFFFAOYSA-N
XLogP2.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 120882209
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120882354
2-(2,5-dimethylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120881318
3-(2,5-dimethoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882745
3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120882283
2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883699
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)-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-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 120881617
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-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120881649

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride (CID 120882521) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride is COc1cccc(OCC(=O)Nc2ccc3c(c2F)CCNC3)c1.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride?
The InChIKey is SYLNIEJJCNHKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3.ClH/c1-23-13-3-2-4-14(9-13)24-11-17(22)21-16-6-5-12-10-20-8-7-15(12)18(16)19;/h2-6,9,20H,7-8,10-11H2,1H3,(H,21,22);1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride has a molecular weight of 366.82 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120882521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).