N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide

C8H11AsN2O5 — CID 174408278

IUPACN-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([As](=O)(ON)OO)c1
InChIInChI=1S/C8H11AsN2O5/c1-6(12)11-8-4-2-3-7(5-8)9(13,15-10)16-14/h2-5,14H,10H2,1H3,(H,11,12)
InChIKeyNDWCTTSXGVKAHA-UHFFFAOYSA-N
MW290.11 g/mol
LogP-0.40
Rot. Bonds4

About N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide

N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide (PubChem CID 174408278) has the molecular formula C8H11AsN2O5 and a molecular weight of 290.11 g/mol. Its IUPAC name is N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide
PubChem CID174408278
Molecular FormulaC8H11AsN2O5
Molecular Weight290.11 g/mol
Exact Mass289.99
IUPAC NameN-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([As](=O)(ON)OO)c1
InChIInChI=1S/C8H11AsN2O5/c1-6(12)11-8-4-2-3-7(5-8)9(13,15-10)16-14/h2-5,14H,10H2,1H3,(H,11,12)
InChIKeyNDWCTTSXGVKAHA-UHFFFAOYSA-N
XLogP-0.40
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite
CID 175320469
[(3-acetamidophenyl)-hydroperoxyarsoryl] prop-2-ene-1-sulfonate
CID 174390256
(3-acetamidophenyl)-hydroperoxyarsinic acid;2,4,6-trimethylaniline
CID 174696638
(3-acetamidophenyl)-hydroperoxyarsinic acid;N-ethylaniline
CID 174596759
(3-acetamidophenyl)-hydroperoxyarsinic acid;ethylbenzene
CID 174705794
(3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene
CID 174756554
(3-acetamidophenyl)-hydroperoxyarsinic acid;6-amino-1H-pyrimidine-2,4-dione
CID 174495207
(3-acetamidophenyl)-hydroperoxyarsinic acid;ethyl 4,4-dimethylpent-2-enoate
CID 174918413
(3-acetamidophenyl)-hydroperoxyarsinic acid;methyl 4-acetyloxybenzoate
CID 174384601
[(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite
CID 174927143
N-(3-methylphenyl)acetamide
CID 10843
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644

Frequently Asked Questions

What is the IUPAC name of N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide?
The IUPAC name of N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide (CID 174408278) is N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide.
What is the SMILES notation for N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide?
The canonical SMILES for N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide is CC(=O)Nc1cccc([As](=O)(ON)OO)c1.
What is the InChIKey of N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide?
The InChIKey is NDWCTTSXGVKAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11AsN2O5/c1-6(12)11-8-4-2-3-7(5-8)9(13,15-10)16-14/h2-5,14H,10H2,1H3,(H,11,12).
What are the key properties of N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide?
N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide has a molecular weight of 290.11 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide is sourced from PubChem (CID 174408278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).