2-acetamido-5-chloro-N-hydroxybenzeneamine oxide

C8H9ClN2O3 — CID 163181848

IUPAC2-acetamido-5-chloro-N-hydroxybenzeneamine oxide
SMILESCC(=O)Nc1ccc(Cl)cc1[NH+]([O-])O
InChIInChI=1S/C8H9ClN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4,11,13H,1H3,(H,10,12)
InChIKeyZKJSHOODYDIMFD-UHFFFAOYSA-N
MW216.62 g/mol
LogP0.70
Rot. Bonds2

About 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide

2-acetamido-5-chloro-N-hydroxybenzeneamine oxide (PubChem CID 163181848) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name2-acetamido-5-chloro-N-hydroxybenzeneamine oxide
PubChem CID163181848
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-acetamido-5-chloro-N-hydroxybenzeneamine oxide
SMILESCC(=O)Nc1ccc(Cl)cc1[NH+]([O-])O
InChIInChI=1S/C8H9ClN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4,11,13H,1H3,(H,10,12)
InChIKeyZKJSHOODYDIMFD-UHFFFAOYSA-N
XLogP0.70
TPSA76.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamoylamino]-N-hydroxybenzeneamine oxide
CID 163171806
5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide
CID 163154723
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
2-acetamido-5-chlorobenzenesulfinic acid
CID 11356734
N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide
CID 10868327
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
N-(5-chloro-2-prop-1-en-2-ylphenyl)acetamide
CID 11229567
N-(5-chloro-2-methylsulfonylphenyl)acetamide
CID 67747671
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
N-[3-[(4-chloro-2-methylphenyl)carbamothioylamino]-4-methylphenyl]acetamide
CID 2796884
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide?
The IUPAC name of 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide (CID 163181848) is 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide?
The canonical SMILES for 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide is CC(=O)Nc1ccc(Cl)cc1[NH+]([O-])O.
What is the InChIKey of 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide?
The InChIKey is ZKJSHOODYDIMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4,11,13H,1H3,(H,10,12).
What are the key properties of 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide?
2-acetamido-5-chloro-N-hydroxybenzeneamine oxide has a molecular weight of 216.62 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-chloro-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 163181848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).