N-(2,4,5-triiodophenyl)acetamide

C8H6I3NO — CID 102056316

IUPACN-(2,4,5-triiodophenyl)acetamide
SMILESCC(=O)Nc1cc(I)c(I)cc1I
InChIInChI=1S/C8H6I3NO/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H,12,13)
InChIKeyDBLLMRZAUPRNHW-UHFFFAOYSA-N
MW512.85 g/mol
LogP3.46
Rot. Bonds1

About N-(2,4,5-triiodophenyl)acetamide

N-(2,4,5-triiodophenyl)acetamide (PubChem CID 102056316) has the molecular formula C8H6I3NO and a molecular weight of 512.85 g/mol. Its IUPAC name is N-(2,4,5-triiodophenyl)acetamide.

Molecular Properties

Compound NameN-(2,4,5-triiodophenyl)acetamide
PubChem CID102056316
Molecular FormulaC8H6I3NO
Molecular Weight512.85 g/mol
Exact Mass512.76
IUPAC NameN-(2,4,5-triiodophenyl)acetamide
SMILESCC(=O)Nc1cc(I)c(I)cc1I
InChIInChI=1S/C8H6I3NO/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H,12,13)
InChIKeyDBLLMRZAUPRNHW-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 23248476
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
3-(4-acetamido-3-iodophenyl)-2-aminopropanoic acid
CID 571893
N-(2-fluoro-4-iodo-3-methylphenyl)acetamide
CID 166153622
methyl 2-acetamido-4-chloro-5-iodobenzoate
CID 10689426
2-acetamido-4,5-dihydroxybenzoic acid
CID 19386799
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
3-acetamido-2,4,6-triiodobenzoate
CID 4611060
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-triiodophenyl)acetamide?
The IUPAC name of N-(2,4,5-triiodophenyl)acetamide (CID 102056316) is N-(2,4,5-triiodophenyl)acetamide.
What is the SMILES notation for N-(2,4,5-triiodophenyl)acetamide?
The canonical SMILES for N-(2,4,5-triiodophenyl)acetamide is CC(=O)Nc1cc(I)c(I)cc1I.
What is the InChIKey of N-(2,4,5-triiodophenyl)acetamide?
The InChIKey is DBLLMRZAUPRNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6I3NO/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H,12,13).
What are the key properties of N-(2,4,5-triiodophenyl)acetamide?
N-(2,4,5-triiodophenyl)acetamide has a molecular weight of 512.85 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-triiodophenyl)acetamide is sourced from PubChem (CID 102056316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).