4-[(aminodiazenyl)methyl]-N-oxobenzamide

C8H8N4O2 — CID 118336438

IUPAC4-[(aminodiazenyl)methyl]-N-oxobenzamide
SMILESN/N=N/Cc1ccc(C(=O)N=O)cc1
InChIInChI=1S/C8H8N4O2/c9-12-10-5-6-1-3-7(4-2-6)8(13)11-14/h1-4H,5H2,(H2,9,10)
InChIKeyUVJCOFLAHDBHBP-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.42
Rot. Bonds3

About 4-[(aminodiazenyl)methyl]-N-oxobenzamide

4-[(aminodiazenyl)methyl]-N-oxobenzamide (PubChem CID 118336438) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-[(aminodiazenyl)methyl]-N-oxobenzamide.

Molecular Properties

Compound Name4-[(aminodiazenyl)methyl]-N-oxobenzamide
PubChem CID118336438
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-[(aminodiazenyl)methyl]-N-oxobenzamide
SMILESN/N=N/Cc1ccc(C(=O)N=O)cc1
InChIInChI=1S/C8H8N4O2/c9-12-10-5-6-1-3-7(4-2-6)8(13)11-14/h1-4H,5H2,(H2,9,10)
InChIKeyUVJCOFLAHDBHBP-UHFFFAOYSA-N
XLogP1.42
TPSA97.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-acetylphenyl)methylimino-methylideneazanium
CID 143608157
N-oxotetracene-2-carboxamide
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bis[4-(isothiocyanatomethyl)phenyl]methanone
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4-[2-(4-carbamoylphenyl)ethyl]benzamide
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CID 102447003
CID 102447003
4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid
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3-[(4-aminophenyl)methyldiazenyl]benzoic acid
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methyl 4-[(diaminomethylideneamino)methyl]benzoate;dihydrate
CID 66622428
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
N-[4-[(methyldiazenyl)methyl]phenyl]acetamide
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4-ethylbenzoyl azide
CID 43307154

Frequently Asked Questions

What is the IUPAC name of 4-[(aminodiazenyl)methyl]-N-oxobenzamide?
The IUPAC name of 4-[(aminodiazenyl)methyl]-N-oxobenzamide (CID 118336438) is 4-[(aminodiazenyl)methyl]-N-oxobenzamide.
What is the SMILES notation for 4-[(aminodiazenyl)methyl]-N-oxobenzamide?
The canonical SMILES for 4-[(aminodiazenyl)methyl]-N-oxobenzamide is N/N=N/Cc1ccc(C(=O)N=O)cc1.
What is the InChIKey of 4-[(aminodiazenyl)methyl]-N-oxobenzamide?
The InChIKey is UVJCOFLAHDBHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-12-10-5-6-1-3-7(4-2-6)8(13)11-14/h1-4H,5H2,(H2,9,10).
What are the key properties of 4-[(aminodiazenyl)methyl]-N-oxobenzamide?
4-[(aminodiazenyl)methyl]-N-oxobenzamide has a molecular weight of 192.18 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(aminodiazenyl)methyl]-N-oxobenzamide is sourced from PubChem (CID 118336438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).