N-(4-arsonatophenyl)-2-hydroxyacetamide

C8H8AsNO5-2 — CID 4619461

IUPACN-(4-arsonatophenyl)-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc([As](=O)([O-])[O-])cc1
InChIInChI=1S/C8H10AsNO5/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15/h1-4,11H,5H2,(H,10,12)(H2,13,14,15)/p-2
InChIKeyQABXFDAPQQVMKL-UHFFFAOYSA-L
MW273.08 g/mol
LogP-3.09
Rot. Bonds3

About N-(4-arsonatophenyl)-2-hydroxyacetamide

N-(4-arsonatophenyl)-2-hydroxyacetamide (PubChem CID 4619461) has the molecular formula C8H8AsNO5-2 and a molecular weight of 273.08 g/mol. Its IUPAC name is N-(4-arsonatophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(4-arsonatophenyl)-2-hydroxyacetamide
PubChem CID4619461
Molecular FormulaC8H8AsNO5-2
Molecular Weight273.08 g/mol
Exact Mass272.96
IUPAC NameN-(4-arsonatophenyl)-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc([As](=O)([O-])[O-])cc1
InChIInChI=1S/C8H10AsNO5/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15/h1-4,11H,5H2,(H,10,12)(H2,13,14,15)/p-2
InChIKeyQABXFDAPQQVMKL-UHFFFAOYSA-L
XLogP-3.09
TPSA112.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 5-3.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-arsonatophenyl)-2-hydroxyacetamide?
The IUPAC name of N-(4-arsonatophenyl)-2-hydroxyacetamide (CID 4619461) is N-(4-arsonatophenyl)-2-hydroxyacetamide.
What is the SMILES notation for N-(4-arsonatophenyl)-2-hydroxyacetamide?
The canonical SMILES for N-(4-arsonatophenyl)-2-hydroxyacetamide is O=C(CO)Nc1ccc([As](=O)([O-])[O-])cc1.
What is the InChIKey of N-(4-arsonatophenyl)-2-hydroxyacetamide?
The InChIKey is QABXFDAPQQVMKL-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10AsNO5/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15/h1-4,11H,5H2,(H,10,12)(H2,13,14,15)/p-2.
What are the key properties of N-(4-arsonatophenyl)-2-hydroxyacetamide?
N-(4-arsonatophenyl)-2-hydroxyacetamide has a molecular weight of 273.08 g/mol, XLogP of -3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-arsonatophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 4619461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).