(3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene

C15H17AsFNO5 — CID 174756554

IUPAC(3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene
SMILESCC(=O)Nc1cccc([As](=O)(O)OO)c1.Cc1cccc(F)c1
InChIInChI=1S/C8H10AsNO5.C7H7F/c1-6(11)10-8-4-2-3-7(5-8)9(12,13)15-14;1-6-3-2-4-7(8)5-6/h2-5,14H,1H3,(H,10,11)(H,12,13);2-5H,1H3
InChIKeyHVIYXLCJKWZVSN-UHFFFAOYSA-N
MW385.22 g/mol
LogP1.84
Rot. Bonds3

About (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene

(3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene (PubChem CID 174756554) has the molecular formula C15H17AsFNO5 and a molecular weight of 385.22 g/mol. Its IUPAC name is (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name(3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene
PubChem CID174756554
Molecular FormulaC15H17AsFNO5
Molecular Weight385.22 g/mol
Exact Mass385.03
IUPAC Name(3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene
SMILESCC(=O)Nc1cccc([As](=O)(O)OO)c1.Cc1cccc(F)c1
InChIInChI=1S/C8H10AsNO5.C7H7F/c1-6(11)10-8-4-2-3-7(5-8)9(12,13)15-14;1-6-3-2-4-7(8)5-6/h2-5,14H,1H3,(H,10,11)(H,12,13);2-5H,1H3
InChIKeyHVIYXLCJKWZVSN-UHFFFAOYSA-N
XLogP1.84
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-hydroperoxyarsinic acid;2,4,6-trimethylaniline
CID 174696638
(3-acetamidophenyl)-hydroperoxyarsinic acid;ethylbenzene
CID 174705794
(3-acetamidophenyl)-hydroperoxyarsinic acid;N-ethylaniline
CID 174596759
(3-acetamidophenyl)-hydroperoxyarsinic acid;ethyl 4,4-dimethylpent-2-enoate
CID 174918413
N-(3-methylphenyl)acetamide
CID 10843
[(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite
CID 175320469
N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide
CID 174408278
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
2-N-(3-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141073
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239

Frequently Asked Questions

What is the IUPAC name of (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene?
The IUPAC name of (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene (CID 174756554) is (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene.
What is the SMILES notation for (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene?
The canonical SMILES for (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene is CC(=O)Nc1cccc([As](=O)(O)OO)c1.Cc1cccc(F)c1.
What is the InChIKey of (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene?
The InChIKey is HVIYXLCJKWZVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5.C7H7F/c1-6(11)10-8-4-2-3-7(5-8)9(12,13)15-14;1-6-3-2-4-7(8)5-6/h2-5,14H,1H3,(H,10,11)(H,12,13);2-5H,1H3.
What are the key properties of (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene?
(3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene has a molecular weight of 385.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene is sourced from PubChem (CID 174756554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).