2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide

C19H17IN2O2 — CID 43013559

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C19H17IN2O2/c1-13(23)22-10-9-14-5-2-3-8-17(14)18(22)12-19(24)21-16-7-4-6-15(20)11-16/h2-11,18H,12H2,1H3,(H,21,24)
InChIKeyLHOKNJBJSCOODQ-UHFFFAOYSA-N
MW432.26 g/mol
LogP4.19
Rot. Bonds3

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide (PubChem CID 43013559) has the molecular formula C19H17IN2O2 and a molecular weight of 432.26 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide
PubChem CID43013559
Molecular FormulaC19H17IN2O2
Molecular Weight432.26 g/mol
Exact Mass432.03
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C19H17IN2O2/c1-13(23)22-10-9-14-5-2-3-8-17(14)18(22)12-19(24)21-16-7-4-6-15(20)11-16/h2-11,18H,12H2,1H3,(H,21,24)
InChIKeyLHOKNJBJSCOODQ-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
CID 8870960
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 9072708
4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
CID 26009427
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide
CID 51938187
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]acetamide
CID 43062362
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 42934924
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-methylbenzamide
CID 17478920
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 51229591
N-(3-acetamido-2-methylphenyl)-2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetamide
CID 30886465
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 8530965
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 26010115

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide (CID 43013559) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(I)c1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide?
The InChIKey is LHOKNJBJSCOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN2O2/c1-13(23)22-10-9-14-5-2-3-8-17(14)18(22)12-19(24)21-16-7-4-6-15(20)11-16/h2-11,18H,12H2,1H3,(H,21,24).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide has a molecular weight of 432.26 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 43013559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).