5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

C17H17BrN2O — CID 65311484

IUPAC5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C17H17BrN2O/c1-11-4-5-13(18)10-15(11)17(21)20-14-6-7-16-12(9-14)3-2-8-19-16/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21)
InChIKeyZEJMZIOHZYCGNE-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.37
Rot. Bonds2

About 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (PubChem CID 65311484) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
PubChem CID65311484
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C17H17BrN2O/c1-11-4-5-13(18)10-15(11)17(21)20-14-6-7-16-12(9-14)3-2-8-19-16/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21)
InChIKeyZEJMZIOHZYCGNE-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
CID 119547274
5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 63282312
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
4-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283394
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038
3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 107939898
1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride
CID 119547166
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (CID 65311484) is 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is Cc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)CCCN2.
What is the InChIKey of 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The InChIKey is ZEJMZIOHZYCGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11-4-5-13(18)10-15(11)17(21)20-14-6-7-16-12(9-14)3-2-8-19-16/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21).
What are the key properties of 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide has a molecular weight of 345.24 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is sourced from PubChem (CID 65311484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).