2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

C18H19BrN2O2 — CID 22597747

IUPAC2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CN(C)CC3)c1
InChIInChI=1S/C18H19BrN2O2/c1-21-8-7-12-3-4-14(9-13(12)11-21)20-18(22)16-10-15(23-2)5-6-17(16)19/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyVCMRMCDXNASICA-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.70
Rot. Bonds3

About 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (PubChem CID 22597747) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
PubChem CID22597747
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CN(C)CC3)c1
InChIInChI=1S/C18H19BrN2O2/c1-21-8-7-12-3-4-14(9-13(12)11-21)20-18(22)16-10-15(23-2)5-6-17(16)19/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyVCMRMCDXNASICA-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 24535273
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 10066617
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,4-dimethoxybenzamide
CID 16942883
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840
2,4-difluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597780
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide
CID 22597836

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (CID 22597747) is 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CN(C)CC3)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The InChIKey is VCMRMCDXNASICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-21-8-7-12-3-4-14(9-13(12)11-21)20-18(22)16-10-15(23-2)5-6-17(16)19/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is sourced from PubChem (CID 22597747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).