2-acetyl-N-oxidobenzamide

C9H8NO3- — CID 163875491

IUPAC2-acetyl-N-oxidobenzamide
SMILESCC(=O)c1ccccc1C(=O)N[O-]
InChIInChI=1S/C9H8NO3/c1-6(11)7-4-2-3-5-8(7)9(12)10-13/h2-5H,1H3,(H-,10,11,12,13)/q-1
InChIKeyPOMPFWCWEUAIMY-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.12
Rot. Bonds2

About 2-acetyl-N-oxidobenzamide

2-acetyl-N-oxidobenzamide (PubChem CID 163875491) has the molecular formula C9H8NO3- and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-acetyl-N-oxidobenzamide.

Molecular Properties

Compound Name2-acetyl-N-oxidobenzamide
PubChem CID163875491
Molecular FormulaC9H8NO3-
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name2-acetyl-N-oxidobenzamide
SMILESCC(=O)c1ccccc1C(=O)N[O-]
InChIInChI=1S/C9H8NO3/c1-6(11)7-4-2-3-5-8(7)9(12)10-13/h2-5H,1H3,(H-,10,11,12,13)/q-1
InChIKeyPOMPFWCWEUAIMY-UHFFFAOYSA-N
XLogP1.12
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetylphenyl)ethanone;methane
CID 158210616
2-acetylbenzohydrazide;hydrochloride
CID 175815383
2-acetyl-N-(4-hydroxyphenyl)benzamide
CID 71011787
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
1-(2-acetylphenyl)butane-1,3-dione
CID 56993982
(2-acetylphenyl)azanide;actinium
CID 23389380
1-[2-(1-methoxyethenyl)phenyl]ethanone
CID 121440840
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-oxidobenzamide?
The IUPAC name of 2-acetyl-N-oxidobenzamide (CID 163875491) is 2-acetyl-N-oxidobenzamide.
What is the SMILES notation for 2-acetyl-N-oxidobenzamide?
The canonical SMILES for 2-acetyl-N-oxidobenzamide is CC(=O)c1ccccc1C(=O)N[O-].
What is the InChIKey of 2-acetyl-N-oxidobenzamide?
The InChIKey is POMPFWCWEUAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO3/c1-6(11)7-4-2-3-5-8(7)9(12)10-13/h2-5H,1H3,(H-,10,11,12,13)/q-1.
What are the key properties of 2-acetyl-N-oxidobenzamide?
2-acetyl-N-oxidobenzamide has a molecular weight of 178.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-oxidobenzamide is sourced from PubChem (CID 163875491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).