2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

C18H20N2O — CID 43808455

IUPAC2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc3c2CCNC3)c(C)c1
InChIInChI=1S/C18H20N2O/c1-12-6-7-15(13(2)10-12)18(21)20-17-5-3-4-14-11-19-9-8-16(14)17/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyDWRBOXZEQDWSGB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.20
Rot. Bonds2

About 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide (PubChem CID 43808455) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
PubChem CID43808455
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc3c2CCNC3)c(C)c1
InChIInChI=1S/C18H20N2O/c1-12-6-7-15(13(2)10-12)18(21)20-17-5-3-4-14-11-19-9-8-16(14)17/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyDWRBOXZEQDWSGB-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557980
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
4-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80548205
1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 43808490
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
2,4-dimethyl-N-(1-methyl-2,3-dihydroindol-4-yl)benzamide
CID 71854820
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide
CID 103806791
1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
CID 80554412

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide (CID 43808455) is 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide is Cc1ccc(C(=O)Nc2cccc3c2CCNC3)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The InChIKey is DWRBOXZEQDWSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-6-7-15(13(2)10-12)18(21)20-17-5-3-4-14-11-19-9-8-16(14)17/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide is sourced from PubChem (CID 43808455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).