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

C18H19FN2O — CID 120883840

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1C
InChIInChI=1S/C18H19FN2O/c1-11-3-4-13(9-12(11)2)18(22)21-16-6-5-14-10-20-8-7-15(14)17(16)19/h3-6,9,20H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyKLMWVWDSAVYXBP-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.34
Rot. Bonds2

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

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide (PubChem CID 120883840) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
PubChem CID120883840
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1C
InChIInChI=1S/C18H19FN2O/c1-11-3-4-13(9-12(11)2)18(22)21-16-6-5-14-10-20-8-7-15(14)17(16)19/h3-6,9,20H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyKLMWVWDSAVYXBP-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propan-2-ylbenzamide
CID 120881766
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethyl-5-sulfamoylbenzamide;hydrochloride
CID 120883987
4-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(methylsulfanylmethyl)benzamide
CID 120883476
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-5-methylsulfonylbenzamide
CID 120881076
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120881042
4-acetyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiophene-2-carboxamide
CID 120884122
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 120881693
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(methylsulfonylmethyl)benzamide
CID 120881504
2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
CID 120881367
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide (CID 120883840) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1C.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide?
The InChIKey is KLMWVWDSAVYXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-11-3-4-13(9-12(11)2)18(22)21-16-6-5-14-10-20-8-7-15(14)17(16)19/h3-6,9,20H,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide has a molecular weight of 298.36 g/mol, XLogP of 3.34, 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)-3,4-dimethylbenzamide is sourced from PubChem (CID 120883840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).