N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide

C16H21FN2O — CID 120881270

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(c2F)CCNC3)CCCC1
InChIInChI=1S/C16H21FN2O/c1-16(7-2-3-8-16)15(20)19-13-5-4-11-10-18-9-6-12(11)14(13)17/h4-5,18H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyVHLVTHPNKJILBM-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.99
Rot. Bonds2

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

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide (PubChem CID 120881270) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide
PubChem CID120881270
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(c2F)CCNC3)CCCC1
InChIInChI=1S/C16H21FN2O/c1-16(7-2-3-8-16)15(20)19-13-5-4-11-10-18-9-6-12(11)14(13)17/h4-5,18H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyVHLVTHPNKJILBM-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.99
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-phenylcyclobutane-1-carboxamide
CID 120883808
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride
CID 120883197
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)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 120880970
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120881841
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide
CID 120880934
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide (CID 120881270) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)Nc2ccc3c(c2F)CCNC3)CCCC1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is VHLVTHPNKJILBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-16(7-2-3-8-16)15(20)19-13-5-4-11-10-18-9-6-12(11)14(13)17/h4-5,18H,2-3,6-10H2,1H3,(H,19,20).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 276.35 g/mol, XLogP of 2.99, 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)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 120881270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).