N-hydroxy-4-nitrobenzamide

C7H6N2O4 — CID 5043691

IUPACN-hydroxy-4-nitrobenzamide
SMILESO=C(NO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6N2O4/c10-7(8-11)5-1-3-6(4-2-5)9(12)13/h1-4,11H,(H,8,10)
InChIKeyNORABPMBUQMZLT-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.71
Rot. Bonds2

About N-hydroxy-4-nitrobenzamide

N-hydroxy-4-nitrobenzamide (PubChem CID 5043691) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is N-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-hydroxy-4-nitrobenzamide
PubChem CID5043691
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC NameN-hydroxy-4-nitrobenzamide
SMILESO=C(NO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6N2O4/c10-7(8-11)5-1-3-6(4-2-5)9(12)13/h1-4,11H,(H,8,10)
InChIKeyNORABPMBUQMZLT-UHFFFAOYSA-N
XLogP0.71
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-nitrobenzamide?
The IUPAC name of N-hydroxy-4-nitrobenzamide (CID 5043691) is N-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-hydroxy-4-nitrobenzamide is O=C(NO)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-hydroxy-4-nitrobenzamide?
The InChIKey is NORABPMBUQMZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-7(8-11)5-1-3-6(4-2-5)9(12)13/h1-4,11H,(H,8,10).
What are the key properties of N-hydroxy-4-nitrobenzamide?
N-hydroxy-4-nitrobenzamide has a molecular weight of 182.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 5043691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).