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

C20H26ClFN2O — CID 120883197

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1F)CCNC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25FN2O.ClH/c21-18-16-3-4-22-11-15(16)1-2-17(18)23-19(24)20-8-12-5-13(9-20)7-14(6-12)10-20;/h1-2,12-14,22H,3-11H2,(H,23,24);1H
InChIKeyYXENGVQCIIUPDJ-UHFFFAOYSA-N
MW364.89 g/mol
LogP4.05
Rot. Bonds2

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

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride (PubChem CID 120883197) has the molecular formula C20H26ClFN2O and a molecular weight of 364.89 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride
PubChem CID120883197
Molecular FormulaC20H26ClFN2O
Molecular Weight364.89 g/mol
Exact Mass364.17
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1F)CCNC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25FN2O.ClH/c21-18-16-3-4-22-11-15(16)1-2-17(18)23-19(24)20-8-12-5-13(9-20)7-14(6-12)10-20;/h1-2,12-14,22H,3-11H2,(H,23,24);1H
InChIKeyYXENGVQCIIUPDJ-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.89
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopropane-1-carboxamide
CID 120881068
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide
CID 120881270
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-phenylcyclobutane-1-carboxamide
CID 120883808
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 120881587
(4R)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120882971
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 120882749
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
4-(4-fluorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-4-carboxamide
CID 120881030
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)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 120883747

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride (CID 120883197) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1F)CCNC2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride?
The InChIKey is YXENGVQCIIUPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O.ClH/c21-18-16-3-4-22-11-15(16)1-2-17(18)23-19(24)20-8-12-5-13(9-20)7-14(6-12)10-20;/h1-2,12-14,22H,3-11H2,(H,23,24);1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride has a molecular weight of 364.89 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120883197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).