zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)

C30H24N2O8Zn — CID 67733128

IUPACzinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
SMILESO=C(COc1ccccc1)Nc1ccccc1C(=O)[O-].O=C(COc1ccccc1)Nc1ccccc1C(=O)[O-].[Zn+2]
InChIInChI=1S/2C15H13NO4.Zn/c2*17-14(10-20-11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15(18)19;/h2*1-9H,10H2,(H,16,17)(H,18,19);/q;;+2/p-2
InChIKeyFGPCVJHKWNQVAF-UHFFFAOYSA-L
MW605.92 g/mol
LogP2.13
Rot. Bonds10

About zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)

zinc bis(2-[(2-phenoxyacetyl)amino]benzoate) (PubChem CID 67733128) has the molecular formula C30H24N2O8Zn and a molecular weight of 605.92 g/mol. Its IUPAC name is zinc bis(2-[(2-phenoxyacetyl)amino]benzoate).

Molecular Properties

Compound Namezinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
PubChem CID67733128
Molecular FormulaC30H24N2O8Zn
Molecular Weight605.92 g/mol
Exact Mass604.08
IUPAC Namezinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
SMILESO=C(COc1ccccc1)Nc1ccccc1C(=O)[O-].O=C(COc1ccccc1)Nc1ccccc1C(=O)[O-].[Zn+2]
InChIInChI=1S/2C15H13NO4.Zn/c2*17-14(10-20-11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15(18)19;/h2*1-9H,10H2,(H,16,17)(H,18,19);/q;;+2/p-2
InChIKeyFGPCVJHKWNQVAF-UHFFFAOYSA-L
XLogP2.13
TPSA156.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.92
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 7035586
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
N-[2-(2-aminoacetyl)phenyl]-2-phenoxyacetamide
CID 170860834
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide
CID 24698020
2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate
CID 6933601
3,4-bis[(2-phenoxyacetyl)amino]benzoate
CID 3511141
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
2-[(2-sulfanylacetyl)amino]benzoate
CID 59656799
2-aminobenzoic acid;2-[(2-phenoxyacetyl)amino]benzoic acid;2-phenoxyacetyl chloride
CID 158801419
3-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylbenzoate
CID 6957833

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)?
The IUPAC name of zinc bis(2-[(2-phenoxyacetyl)amino]benzoate) (CID 67733128) is zinc bis(2-[(2-phenoxyacetyl)amino]benzoate).
What is the SMILES notation for zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)?
The canonical SMILES for zinc bis(2-[(2-phenoxyacetyl)amino]benzoate) is O=C(COc1ccccc1)Nc1ccccc1C(=O)[O-].O=C(COc1ccccc1)Nc1ccccc1C(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)?
The InChIKey is FGPCVJHKWNQVAF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H13NO4.Zn/c2*17-14(10-20-11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15(18)19;/h2*1-9H,10H2,(H,16,17)(H,18,19);/q;;+2/p-2.
What are the key properties of zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)?
zinc bis(2-[(2-phenoxyacetyl)amino]benzoate) has a molecular weight of 605.92 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-[(2-phenoxyacetyl)amino]benzoate) is sourced from PubChem (CID 67733128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).