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

C15H19FN2O — CID 120883420

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CCCC1
InChIInChI=1S/C15H19FN2O/c16-14-12-7-8-17-9-11(12)5-6-13(14)18-15(19)10-3-1-2-4-10/h5-6,10,17H,1-4,7-9H2,(H,18,19)
InChIKeyUVTRDUQREKDRGX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.60
Rot. Bonds2

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

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide (PubChem CID 120883420) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
PubChem CID120883420
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CCCC1
InChIInChI=1S/C15H19FN2O/c16-14-12-7-8-17-9-11(12)5-6-13(14)18-15(19)10-3-1-2-4-10/h5-6,10,17H,1-4,7-9H2,(H,18,19)
InChIKeyUVTRDUQREKDRGX-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
CID 120882858
N-[2-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120883994
N-[2-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120883993
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide
CID 120883246
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120881024
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-2-carboxamide
CID 120882416
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-oxopiperidine-3-carboxamide
CID 120883928
1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120880947
1-(2,2-dimethylpropanoyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-3-carboxamide
CID 120881624
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 120881587
1-butanoyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-4-carboxamide
CID 120881672

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide (CID 120883420) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide is O=C(Nc1ccc2c(c1F)CCNC2)C1CCCC1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide?
The InChIKey is UVTRDUQREKDRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-14-12-7-8-17-9-11(12)5-6-13(14)18-15(19)10-3-1-2-4-10/h5-6,10,17H,1-4,7-9H2,(H,18,19).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.60, 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)cyclopentanecarboxamide is sourced from PubChem (CID 120883420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).