4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide

C23H26I2N2O2 — CID 22237561

IUPAC4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
SMILESO=C(NCCCCCCCCn1ccc2ccccc21)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C23H26I2N2O2/c24-19-15-18(16-20(25)22(19)28)23(29)26-12-7-3-1-2-4-8-13-27-14-11-17-9-5-6-10-21(17)27/h5-6,9-11,14-16,28H,1-4,7-8,12-13H2,(H,26,29)
InChIKeyAEVSHUNTIVMHBO-UHFFFAOYSA-N
MW616.28 g/mol
LogP6.33
Rot. Bonds10

About 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide

4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide (PubChem CID 22237561) has the molecular formula C23H26I2N2O2 and a molecular weight of 616.28 g/mol. Its IUPAC name is 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
PubChem CID22237561
Molecular FormulaC23H26I2N2O2
Molecular Weight616.28 g/mol
Exact Mass616.01
IUPAC Name4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
SMILESO=C(NCCCCCCCCn1ccc2ccccc21)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C23H26I2N2O2/c24-19-15-18(16-20(25)22(19)28)23(29)26-12-7-3-1-2-4-8-13-27-14-11-17-9-5-6-10-21(17)27/h5-6,9-11,14-16,28H,1-4,7-8,12-13H2,(H,26,29)
InChIKeyAEVSHUNTIVMHBO-UHFFFAOYSA-N
XLogP6.33
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.28
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
CID 112768654
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
N-(2-indol-1-ylethyl)-2-iodobenzamide
CID 3247556
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567233
N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192639
7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 24554019
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567338
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide?
The IUPAC name of 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide (CID 22237561) is 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide.
What is the SMILES notation for 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide?
The canonical SMILES for 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide is O=C(NCCCCCCCCn1ccc2ccccc21)c1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide?
The InChIKey is AEVSHUNTIVMHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26I2N2O2/c24-19-15-18(16-20(25)22(19)28)23(29)26-12-7-3-1-2-4-8-13-27-14-11-17-9-5-6-10-21(17)27/h5-6,9-11,14-16,28H,1-4,7-8,12-13H2,(H,26,29).
What are the key properties of 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide?
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide has a molecular weight of 616.28 g/mol, XLogP of 6.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide is sourced from PubChem (CID 22237561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).