2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

C17H17BrN2O — CID 107983127

IUPAC2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CNCC3)c1Br
InChIInChI=1S/C17H17BrN2O/c1-11-3-2-4-15(16(11)18)17(21)20-14-6-5-12-7-8-19-10-13(12)9-14/h2-6,9,19H,7-8,10H2,1H3,(H,20,21)
InChIKeyAXZYEFLVDVTUKD-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.66
Rot. Bonds2

About 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (PubChem CID 107983127) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
PubChem CID107983127
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CNCC3)c1Br
InChIInChI=1S/C17H17BrN2O/c1-11-3-2-4-15(16(11)18)17(21)20-14-6-5-12-7-8-19-10-13(12)9-14/h2-6,9,19H,7-8,10H2,1H3,(H,20,21)
InChIKeyAXZYEFLVDVTUKD-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
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
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 114374394
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide
CID 63900928
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)thiophene-2-carboxamide
CID 63900297

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (CID 107983127) is 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)CNCC3)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The InChIKey is AXZYEFLVDVTUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11-3-2-4-15(16(11)18)17(21)20-14-6-5-12-7-8-19-10-13(12)9-14/h2-6,9,19H,7-8,10H2,1H3,(H,20,21).
What are the key properties of 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide has a molecular weight of 345.24 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 107983127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).