5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide

C19H21BrN2O2 — CID 11315257

IUPAC5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-7-6-16(20)12-17(18)19(23)21-9-11-22-10-8-14-4-2-3-5-15(14)13-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyXLWBMMOOMNHHBQ-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.25
Rot. Bonds5

About 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide

5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 11315257) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide
PubChem CID11315257
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-7-6-16(20)12-17(18)19(23)21-9-11-22-10-8-14-4-2-3-5-15(14)13-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyXLWBMMOOMNHHBQ-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Benzyl-piperidin-4-yl)-5-bromo-2,3-dimethoxy-benzamide
CID 15167710
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-butyl]-2-(2-fluoro-ethoxy)-5-bromo-benzamide
CID 16734987
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
CID 5323852
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 14762912
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-cycloheptyl-pyrrolidin-3-yl)-amide
CID 9889709
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-benzyl-pyrrolidin-3-yl)-amide
CID 10622914
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-cyclopentyl-pyrrolidin-3-yl)-amide
CID 10645614
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-cyclohexyl-pyrrolidin-3-yl)-amide
CID 10836428
1-[4-(2-Methoxy-benzoyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 787279
2-methoxy-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 25161633
5-bromo-N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide
CID 10458892
N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10789834

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide (CID 11315257) is 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)NCCN1CCc2ccccc2C1.
What is the InChIKey of 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is XLWBMMOOMNHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-24-18-7-6-16(20)12-17(18)19(23)21-9-11-22-10-8-14-4-2-3-5-15(14)13-22/h2-7,12H,8-11,13H2,1H3,(H,21,23).
What are the key properties of 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide?
5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 389.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 11315257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).