N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide

C17H13IN2O2 — CID 9354432

IUPACN-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)Nc1cccc(I)c1
InChIInChI=1S/C17H13IN2O2/c18-13-5-3-6-14(10-13)19-16(21)11-20-9-8-12-4-1-2-7-15(12)17(20)22/h1-10H,11H2,(H,19,21)
InChIKeyXJFUTDROFZNCSC-UHFFFAOYSA-N
MW404.21 g/mol
LogP3.24
Rot. Bonds3

About N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide

N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 9354432) has the molecular formula C17H13IN2O2 and a molecular weight of 404.21 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID9354432
Molecular FormulaC17H13IN2O2
Molecular Weight404.21 g/mol
Exact Mass404.00
IUPAC NameN-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)Nc1cccc(I)c1
InChIInChI=1S/C17H13IN2O2/c18-13-5-3-6-14(10-13)19-16(21)11-20-9-8-12-4-1-2-7-15(12)17(20)22/h1-10H,11H2,(H,19,21)
InChIKeyXJFUTDROFZNCSC-UHFFFAOYSA-N
XLogP3.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 2095659
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-iodophenyl)acetamide
CID 26757705
1-[2-(3-iodoanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325105
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354346
N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354365
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115912011
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide (CID 9354432) is N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide is O=C(Cn1ccc2ccccc2c1=O)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is XJFUTDROFZNCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O2/c18-13-5-3-6-14(10-13)19-16(21)11-20-9-8-12-4-1-2-7-15(12)17(20)22/h1-10H,11H2,(H,19,21).
What are the key properties of N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 404.21 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 9354432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).