sodium 2-benzamido-3,5-diiodobenzoate

C14H8I2NNaO3 — CID 24833804

IUPACsodium 2-benzamido-3,5-diiodobenzoate
SMILESO=C(Nc1c(I)cc(I)cc1C(=O)[O-])c1ccccc1.[Na+]
InChIInChI=1S/C14H9I2NO3.Na/c15-9-6-10(14(19)20)12(11(16)7-9)17-13(18)8-4-2-1-3-5-8;/h1-7H,(H,17,18)(H,19,20);/q;+1/p-1
InChIKeyRGMMLMPOIQHCTM-UHFFFAOYSA-M
MW515.02 g/mol
LogP-0.48
Rot. Bonds3

About sodium 2-benzamido-3,5-diiodobenzoate

sodium 2-benzamido-3,5-diiodobenzoate (PubChem CID 24833804) has the molecular formula C14H8I2NNaO3 and a molecular weight of 515.02 g/mol. Its IUPAC name is sodium 2-benzamido-3,5-diiodobenzoate.

Molecular Properties

Compound Namesodium 2-benzamido-3,5-diiodobenzoate
PubChem CID24833804
Molecular FormulaC14H8I2NNaO3
Molecular Weight515.02 g/mol
Exact Mass514.85
IUPAC Namesodium 2-benzamido-3,5-diiodobenzoate
SMILESO=C(Nc1c(I)cc(I)cc1C(=O)[O-])c1ccccc1.[Na+]
InChIInChI=1S/C14H9I2NO3.Na/c15-9-6-10(14(19)20)12(11(16)7-9)17-13(18)8-4-2-1-3-5-8;/h1-7H,(H,17,18)(H,19,20);/q;+1/p-1
InChIKeyRGMMLMPOIQHCTM-UHFFFAOYSA-M
XLogP-0.48
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.02
LogP ≤ 5-0.48
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

4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 63525460
zinc bis(2-benzamidobenzoate)
CID 67586546
3,5-diiodo-2-[(2-iodobenzoyl)carbamothioylamino]benzoic acid
CID 3249226
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682
5-benzamido-2-iodobenzoic acid
CID 2974228
potassium 2-hydroxy-3,5-diiodobenzoate
CID 23716296
2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide
CID 90645537
pentasodium;benzene-1,2,4,5-tetracarboxylate;pentakis(benzene-1,2,4,5-tetracarboxylic acid);benzoate
CID 173357348
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
2-[[(3-iodobenzoyl)amino]carbamoyl]benzoate
CID 6972064
N-(1-benzamidoanthracen-2-yl)benzamide
CID 87154988
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386

Frequently Asked Questions

What is the IUPAC name of sodium 2-benzamido-3,5-diiodobenzoate?
The IUPAC name of sodium 2-benzamido-3,5-diiodobenzoate (CID 24833804) is sodium 2-benzamido-3,5-diiodobenzoate.
What is the SMILES notation for sodium 2-benzamido-3,5-diiodobenzoate?
The canonical SMILES for sodium 2-benzamido-3,5-diiodobenzoate is O=C(Nc1c(I)cc(I)cc1C(=O)[O-])c1ccccc1.[Na+].
What is the InChIKey of sodium 2-benzamido-3,5-diiodobenzoate?
The InChIKey is RGMMLMPOIQHCTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9I2NO3.Na/c15-9-6-10(14(19)20)12(11(16)7-9)17-13(18)8-4-2-1-3-5-8;/h1-7H,(H,17,18)(H,19,20);/q;+1/p-1.
What are the key properties of sodium 2-benzamido-3,5-diiodobenzoate?
sodium 2-benzamido-3,5-diiodobenzoate has a molecular weight of 515.02 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-benzamido-3,5-diiodobenzoate is sourced from PubChem (CID 24833804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).