4-amino-N-(2-nitroacetyl)benzamide

C9H9N3O4 — CID 108814472

IUPAC4-amino-N-(2-nitroacetyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)C[N+](=O)[O-])cc1
InChIInChI=1S/C9H9N3O4/c10-7-3-1-6(2-4-7)9(14)11-8(13)5-12(15)16/h1-4H,5,10H2,(H,11,13,14)
InChIKeyJUTHMPQRZAXNPT-UHFFFAOYSA-N
MW223.19 g/mol
LogP-0.20
Rot. Bonds3

About 4-amino-N-(2-nitroacetyl)benzamide

4-amino-N-(2-nitroacetyl)benzamide (PubChem CID 108814472) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 4-amino-N-(2-nitroacetyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-nitroacetyl)benzamide
PubChem CID108814472
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name4-amino-N-(2-nitroacetyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)C[N+](=O)[O-])cc1
InChIInChI=1S/C9H9N3O4/c10-7-3-1-6(2-4-7)9(14)11-8(13)5-12(15)16/h1-4H,5,10H2,(H,11,13,14)
InChIKeyJUTHMPQRZAXNPT-UHFFFAOYSA-N
XLogP-0.20
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
4-amino-N-(2-methylpropylcarbamoyl)benzamide
CID 108867331
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
[(4-aminobenzoyl)amino]carbamic acid
CID 175797538
N-(2-methoxyacetyl)-4-nitrobenzamide
CID 134085737
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
4-amino-N-(cyclopentylcarbamoyl)benzamide
CID 108902754
4-amino-N-(phenoxymethylcarbamoyl)benzamide
CID 108888975
4-amino-N-ethoxybenzamide
CID 62058413
4-amino-N-(2-oxoethyl)benzamide
CID 54395026
4-nitrobenzohydrazide;hydrochloride
CID 172718286

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-nitroacetyl)benzamide?
The IUPAC name of 4-amino-N-(2-nitroacetyl)benzamide (CID 108814472) is 4-amino-N-(2-nitroacetyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-nitroacetyl)benzamide?
The canonical SMILES for 4-amino-N-(2-nitroacetyl)benzamide is Nc1ccc(C(=O)NC(=O)C[N+](=O)[O-])cc1.
What is the InChIKey of 4-amino-N-(2-nitroacetyl)benzamide?
The InChIKey is JUTHMPQRZAXNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c10-7-3-1-6(2-4-7)9(14)11-8(13)5-12(15)16/h1-4H,5,10H2,(H,11,13,14).
What are the key properties of 4-amino-N-(2-nitroacetyl)benzamide?
4-amino-N-(2-nitroacetyl)benzamide has a molecular weight of 223.19 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-nitroacetyl)benzamide is sourced from PubChem (CID 108814472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).