2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride

C18H21ClN2O — CID 119581059

IUPAC2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CNCC3)c1C.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-12-4-3-5-17(13(12)2)18(21)20-16-7-6-14-8-9-19-11-15(14)10-16;/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21);1H
InChIKeyNHSYZQOEAVIVSH-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.62
Rot. Bonds2

About 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride

2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride (PubChem CID 119581059) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
PubChem CID119581059
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CNCC3)c1C.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-12-4-3-5-17(13(12)2)18(21)20-16-7-6-14-8-9-19-11-15(14)10-16;/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21);1H
InChIKeyNHSYZQOEAVIVSH-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride
CID 75495881
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide
CID 63900928
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
CID 63900297
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 114374394

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride?
The IUPAC name of 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride (CID 119581059) is 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride?
The canonical SMILES for 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride is Cc1cccc(C(=O)Nc2ccc3c(c2)CNCC3)c1C.Cl.
What is the InChIKey of 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride?
The InChIKey is NHSYZQOEAVIVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c1-12-4-3-5-17(13(12)2)18(21)20-16-7-6-14-8-9-19-11-15(14)10-16;/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21);1H.
What are the key properties of 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride?
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride is sourced from PubChem (CID 119581059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).