potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride

C11H10I3KN2O4 — CID 173289053

IUPACpotassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride
SMILESCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.[H-].[K+]
InChIInChI=1S/C11H9I3N2O4.K.H/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);;/q;+1;-1
InChIKeyZVRYENDUQOLEST-UHFFFAOYSA-N
MW654.02 g/mol
LogP0.23
Rot. Bonds3

About potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride

potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride (PubChem CID 173289053) has the molecular formula C11H10I3KN2O4 and a molecular weight of 654.02 g/mol. Its IUPAC name is potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride.

Molecular Properties

Compound Namepotassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride
PubChem CID173289053
Molecular FormulaC11H10I3KN2O4
Molecular Weight654.02 g/mol
Exact Mass653.74
IUPAC Namepotassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride
SMILESCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.[H-].[K+]
InChIInChI=1S/C11H9I3N2O4.K.H/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);;/q;+1;-1
InChIKeyZVRYENDUQOLEST-UHFFFAOYSA-N
XLogP0.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.02
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-2,4,6-triiodo-5-methylbenzoic acid
CID 20572487
3,5-diacetamido-2,4-diiodo-6-methylbenzoic acid
CID 138481833
3-acetamido-5-formamido-2,4,6-triiodobenzoic acid
CID 29754
3-acetamido-2,4,6-triiodo-5-(trideuteriomethylcarbamoyl)benzoic acid
CID 170996933
3,5-diacetamido-2,4,6-triiodo-N-methylbenzamide
CID 15035247
3-acetamido-5-(1,3-dihydroxypropan-2-ylcarbamoyl)-2,4,6-triiodobenzoic acid
CID 86738701
sodium;3,5-diacetamido-2,4,6-triiodobenzoate;hydrate
CID 25102448
3,5-diacetamido-2,4,6-triiodo-N,N-dimethylbenzamide
CID 15035252
5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxylic acid;bis(2,3,4-trihydroxybutanamide)
CID 88674054
(1Z)-3,5-diacetamido-2,4,6-triiodo-N-methylsulfonylbenzenecarboximidate
CID 153287262
3-acetyl-2,4,6-triiodo-5-(methylamino)benzoic acid
CID 150214278
N-[3-acetamido-5-(dihydroxymethyl)-2,4,6-triiodophenyl]acetamide
CID 134375378

Frequently Asked Questions

What is the IUPAC name of potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride?
The IUPAC name of potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride (CID 173289053) is potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride.
What is the SMILES notation for potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride?
The canonical SMILES for potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride is CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.[H-].[K+].
What is the InChIKey of potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride?
The InChIKey is ZVRYENDUQOLEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9I3N2O4.K.H/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);;/q;+1;-1.
What are the key properties of potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride?
potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride has a molecular weight of 654.02 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride is sourced from PubChem (CID 173289053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).