N-diazenyl-4-nitrobenzamide

C7H6N4O3 — CID 141438284

IUPACN-diazenyl-4-nitrobenzamide
SMILES[H]/N=N/NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6N4O3/c8-10-9-7(12)5-1-3-6(4-2-5)11(13)14/h1-4H,(H2,8,9,12)
InChIKeyWCLCIQFXDDZPCY-UHFFFAOYSA-N
MW194.15 g/mol
LogP1.27
Rot. Bonds3

About N-diazenyl-4-nitrobenzamide

N-diazenyl-4-nitrobenzamide (PubChem CID 141438284) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is N-diazenyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-diazenyl-4-nitrobenzamide
PubChem CID141438284
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC NameN-diazenyl-4-nitrobenzamide
SMILES[H]/N=N/NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6N4O3/c8-10-9-7(12)5-1-3-6(4-2-5)11(13)14/h1-4H,(H2,8,9,12)
InChIKeyWCLCIQFXDDZPCY-UHFFFAOYSA-N
XLogP1.27
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
4-nitro-N-(pentan-3-ylideneamino)benzamide
CID 4230759
N-[[amino(nitramido)methylidene]amino]-4-nitrobenzamide
CID 74219905
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
4-nitro-N-trimethylsilylbenzamide
CID 12726300
N-formyl-4-nitrobenzamide
CID 12550339
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
methyl 2-imino-2-(4-nitrophenyl)acetate
CID 130389033
4-nitro-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 5331274

Frequently Asked Questions

What is the IUPAC name of N-diazenyl-4-nitrobenzamide?
The IUPAC name of N-diazenyl-4-nitrobenzamide (CID 141438284) is N-diazenyl-4-nitrobenzamide.
What is the SMILES notation for N-diazenyl-4-nitrobenzamide?
The canonical SMILES for N-diazenyl-4-nitrobenzamide is [H]/N=N/NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-diazenyl-4-nitrobenzamide?
The InChIKey is WCLCIQFXDDZPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c8-10-9-7(12)5-1-3-6(4-2-5)11(13)14/h1-4H,(H2,8,9,12).
What are the key properties of N-diazenyl-4-nitrobenzamide?
N-diazenyl-4-nitrobenzamide has a molecular weight of 194.15 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazenyl-4-nitrobenzamide is sourced from PubChem (CID 141438284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).