8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C11H12BrFN2O — CID 128663492

IUPAC8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNC(=O)N1CCc2c(F)ccc(Br)c2C1
InChIInChI=1S/C11H12BrFN2O/c1-14-11(16)15-5-4-7-8(6-15)9(12)2-3-10(7)13/h2-3H,4-6H2,1H3,(H,14,16)
InChIKeyXJVQVZZTVXWGHU-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.29
Rot. Bonds

About 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 128663492) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID128663492
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNC(=O)N1CCc2c(F)ccc(Br)c2C1
InChIInChI=1S/C11H12BrFN2O/c1-14-11(16)15-5-4-7-8(6-15)9(12)2-3-10(7)13/h2-3H,4-6H2,1H3,(H,14,16)
InChIKeyXJVQVZZTVXWGHU-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(5-bromo-8-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023780
2-(5-bromo-8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylacetamide
CID 84599911
1-(5-bromo-8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,2-oxazol-3-yl)ethanone
CID 75504807
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 166230944
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138995509
5,8-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71923068
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71974305
5,8-difluoro-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97005865
5,8-difluoro-N-[1-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922981
5-bromo-8-fluoro-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 75477685
2-cyclobutyl-1-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86778686
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97012993

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 128663492) is 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CNC(=O)N1CCc2c(F)ccc(Br)c2C1.
What is the InChIKey of 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is XJVQVZZTVXWGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c1-14-11(16)15-5-4-7-8(6-15)9(12)2-3-10(7)13/h2-3H,4-6H2,1H3,(H,14,16).
What are the key properties of 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 287.13 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 128663492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).