zinc bis(2-benzamidobenzoate)

C28H20N2O6Zn — CID 67586546

IUPACzinc bis(2-benzamidobenzoate)
SMILESO=C(Nc1ccccc1C(=O)[O-])c1ccccc1.O=C(Nc1ccccc1C(=O)[O-])c1ccccc1.[Zn+2]
InChIInChI=1S/2C14H11NO3.Zn/c2*16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18;/h2*1-9H,(H,15,16)(H,17,18);/q;;+2/p-2
InChIKeyALBRVBJABKOZCI-UHFFFAOYSA-L
MW545.87 g/mol
LogP2.60
Rot. Bonds6

About zinc bis(2-benzamidobenzoate)

zinc bis(2-benzamidobenzoate) (PubChem CID 67586546) has the molecular formula C28H20N2O6Zn and a molecular weight of 545.87 g/mol. Its IUPAC name is zinc bis(2-benzamidobenzoate).

Molecular Properties

Compound Namezinc bis(2-benzamidobenzoate)
PubChem CID67586546
Molecular FormulaC28H20N2O6Zn
Molecular Weight545.87 g/mol
Exact Mass544.06
IUPAC Namezinc bis(2-benzamidobenzoate)
SMILESO=C(Nc1ccccc1C(=O)[O-])c1ccccc1.O=C(Nc1ccccc1C(=O)[O-])c1ccccc1.[Zn+2]
InChIInChI=1S/2C14H11NO3.Zn/c2*16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18;/h2*1-9H,(H,15,16)(H,17,18);/q;;+2/p-2
InChIKeyALBRVBJABKOZCI-UHFFFAOYSA-L
XLogP2.60
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.87
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(benzylsulfanylmethyl)benzoyl]amino]benzoate
CID 6980992
2-benzamidobenzamide
CID 702115
2-[[4-(4-chlorophenyl)sulfonylbenzoyl]amino]benzoate
CID 2252777
2-(2,1,3-benzothiadiazole-5-carbonylamino)benzoate
CID 6919302
sodium 2-acetamidobenzoate
CID 23702638
2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 6949581
2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 4200241
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682
bis(2-benzamidobenzoic acid);piperazine
CID 3045073
zinc N-(2-sulfanylphenyl)benzamide
CID 22756062
2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate
CID 7154600
2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate
CID 9325388

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-benzamidobenzoate)?
The IUPAC name of zinc bis(2-benzamidobenzoate) (CID 67586546) is zinc bis(2-benzamidobenzoate).
What is the SMILES notation for zinc bis(2-benzamidobenzoate)?
The canonical SMILES for zinc bis(2-benzamidobenzoate) is O=C(Nc1ccccc1C(=O)[O-])c1ccccc1.O=C(Nc1ccccc1C(=O)[O-])c1ccccc1.[Zn+2].
What is the InChIKey of zinc bis(2-benzamidobenzoate)?
The InChIKey is ALBRVBJABKOZCI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H11NO3.Zn/c2*16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18;/h2*1-9H,(H,15,16)(H,17,18);/q;;+2/p-2.
What are the key properties of zinc bis(2-benzamidobenzoate)?
zinc bis(2-benzamidobenzoate) has a molecular weight of 545.87 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-benzamidobenzoate) is sourced from PubChem (CID 67586546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).