2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide

C12H15FN2O — CID 110456763

IUPAC2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCc2c(F)cccc2C1
InChIInChI=1S/C12H15FN2O/c1-14-12(16)8-15-6-5-10-9(7-15)3-2-4-11(10)13/h2-4H,5-8H2,1H3,(H,14,16)
InChIKeyXFRABVMLUGSOKC-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.93
Rot. Bonds2

About 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide

2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide (PubChem CID 110456763) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
PubChem CID110456763
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCc2c(F)cccc2C1
InChIInChI=1S/C12H15FN2O/c1-14-12(16)8-15-6-5-10-9(7-15)3-2-4-11(10)13/h2-4H,5-8H2,1H3,(H,14,16)
InChIKeyXFRABVMLUGSOKC-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110457090
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 58157151
ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propylacetamide
CID 54949308
2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456723
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-butylacetamide
CID 61485500
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 8897358
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide
CID 78903923
2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide
CID 75382694
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide
CID 61013825
2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide
CID 67356813
5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
CID 110456774

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide?
The IUPAC name of 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide (CID 110456763) is 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide is CNC(=O)CN1CCc2c(F)cccc2C1.
What is the InChIKey of 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide?
The InChIKey is XFRABVMLUGSOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-14-12(16)8-15-6-5-10-9(7-15)3-2-4-11(10)13/h2-4H,5-8H2,1H3,(H,14,16).
What are the key properties of 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide?
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide has a molecular weight of 222.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide is sourced from PubChem (CID 110456763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).