3-acetamido-2-nitrobenzamide

C9H9N3O4 — CID 142159478

IUPAC3-acetamido-2-nitrobenzamide
SMILESCC(=O)Nc1cccc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O4/c1-5(13)11-7-4-2-3-6(9(10)14)8(7)12(15)16/h2-4H,1H3,(H2,10,14)(H,11,13)
InChIKeyFOYWDLRJSRQIGR-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.65
Rot. Bonds3

About 3-acetamido-2-nitrobenzamide

3-acetamido-2-nitrobenzamide (PubChem CID 142159478) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 3-acetamido-2-nitrobenzamide.

Molecular Properties

Compound Name3-acetamido-2-nitrobenzamide
PubChem CID142159478
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name3-acetamido-2-nitrobenzamide
SMILESCC(=O)Nc1cccc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O4/c1-5(13)11-7-4-2-3-6(9(10)14)8(7)12(15)16/h2-4H,1H3,(H2,10,14)(H,11,13)
InChIKeyFOYWDLRJSRQIGR-UHFFFAOYSA-N
XLogP0.65
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-acetamido-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-2-nitrobenzoate
CID 7154741
3-acetamido-2-hydroxybenzamide
CID 66833068
2-nitro-3-sulfanylbenzamide
CID 151776475
N-(2-carbamoyl-3-methylphenyl)-3-methyl-2-nitrobenzamide
CID 87006002
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide
CID 106098487
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
N-(3-methyl-4-nitrobenzotriazol-5-yl)acetamide
CID 130407491
3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 151481142
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitrobenzoic acid
CID 114154296
2-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
CID 115542560
(3-nitrophenyl)methyl 2-acetamidobenzoate
CID 891381

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-nitrobenzamide?
The IUPAC name of 3-acetamido-2-nitrobenzamide (CID 142159478) is 3-acetamido-2-nitrobenzamide.
What is the SMILES notation for 3-acetamido-2-nitrobenzamide?
The canonical SMILES for 3-acetamido-2-nitrobenzamide is CC(=O)Nc1cccc(C(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 3-acetamido-2-nitrobenzamide?
The InChIKey is FOYWDLRJSRQIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-5(13)11-7-4-2-3-6(9(10)14)8(7)12(15)16/h2-4H,1H3,(H2,10,14)(H,11,13).
What are the key properties of 3-acetamido-2-nitrobenzamide?
3-acetamido-2-nitrobenzamide has a molecular weight of 223.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-nitrobenzamide is sourced from PubChem (CID 142159478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).