2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide

C19H18INO3 — CID 24582153

IUPAC2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(I)c2)c2c1C(C)CC2=O
InChIInChI=1S/C19H18INO3/c1-11-6-7-16(19-15(22)8-12(2)18(11)19)24-10-17(23)21-14-5-3-4-13(20)9-14/h3-7,9,12H,8,10H2,1-2H3,(H,21,23)
InChIKeyZSMUMIZIEOYUQX-UHFFFAOYSA-N
MW435.26 g/mol
LogP4.31
Rot. Bonds4

About 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide

2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide (PubChem CID 24582153) has the molecular formula C19H18INO3 and a molecular weight of 435.26 g/mol. Its IUPAC name is 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
PubChem CID24582153
Molecular FormulaC19H18INO3
Molecular Weight435.26 g/mol
Exact Mass435.03
IUPAC Name2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(I)c2)c2c1C(C)CC2=O
InChIInChI=1S/C19H18INO3/c1-11-6-7-16(19-15(22)8-12(2)18(11)19)24-10-17(23)21-14-5-3-4-13(20)9-14/h3-7,9,12H,8,10H2,1-2H3,(H,21,23)
InChIKeyZSMUMIZIEOYUQX-UHFFFAOYSA-N
XLogP4.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 54.31
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

3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide
CID 24582188
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 42927570
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 42952442
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide
CID 167782230
2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 25485900
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 39087137
N-(5-chloro-2-methoxyphenyl)-2-[(7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 46405285
[2-(3-iodoanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 23912620
3,4-dimethyl-7-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
CID 47015857
2-(2-cyanophenoxy)-N-(3-iodophenyl)acetamide
CID 2565297
N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 40803983

Frequently Asked Questions

What is the IUPAC name of 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide (CID 24582153) is 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide is Cc1ccc(OCC(=O)Nc2cccc(I)c2)c2c1C(C)CC2=O.
What is the InChIKey of 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide?
The InChIKey is ZSMUMIZIEOYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18INO3/c1-11-6-7-16(19-15(22)8-12(2)18(11)19)24-10-17(23)21-14-5-3-4-13(20)9-14/h3-7,9,12H,8,10H2,1-2H3,(H,21,23).
What are the key properties of 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide?
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide has a molecular weight of 435.26 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 24582153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).