2-phenyldiazenylbenzamide

C13H11N3O — CID 3752866

IUPAC2-phenyldiazenylbenzamide
SMILESNC(=O)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C13H11N3O/c14-13(17)11-8-4-5-9-12(11)16-15-10-6-2-1-3-7-10/h1-9H,(H2,14,17)/b16-15+
InChIKeyRNPHEKCWNBZQMV-FOCLMDBBSA-N
MW225.25 g/mol
LogP3.20
Rot. Bonds3

About 2-phenyldiazenylbenzamide

2-phenyldiazenylbenzamide (PubChem CID 3752866) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-phenyldiazenylbenzamide.

Molecular Properties

Compound Name2-phenyldiazenylbenzamide
PubChem CID3752866
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-phenyldiazenylbenzamide
SMILESNC(=O)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C13H11N3O/c14-13(17)11-8-4-5-9-12(11)16-15-10-6-2-1-3-7-10/h1-9H,(H2,14,17)/b16-15+
InChIKeyRNPHEKCWNBZQMV-FOCLMDBBSA-N
XLogP3.20
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2-phenyldiazenylphenyl)ethanone
CID 175689798
diphenyldiazene;urea
CID 175083568
2-phenyldiazenylbenzenecarboximidamide
CID 154141709
2-(formyldiazenyl)benzamide
CID 175065724
2-(benzylideneamino)benzamide
CID 794805
sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide
CID 173441776
(4-fluorophenyl)-(2-phenyldiazenylphenyl)methanone
CID 132531231
(2-phenyldiazenylphenyl)-thiophen-2-ylmethanone
CID 138980695
cyclohexyl-(2-phenyldiazenylphenyl)methanone
CID 134844297
5-amino-2-phenyldiazenylbenzoic acid
CID 23165759
2-isocyanatobenzamide
CID 86757594
2-[(4-anilinophenyl)diazenyl]benzoic acid
CID 101005663

Frequently Asked Questions

What is the IUPAC name of 2-phenyldiazenylbenzamide?
The IUPAC name of 2-phenyldiazenylbenzamide (CID 3752866) is 2-phenyldiazenylbenzamide.
What is the SMILES notation for 2-phenyldiazenylbenzamide?
The canonical SMILES for 2-phenyldiazenylbenzamide is NC(=O)c1ccccc1/N=N/c1ccccc1.
What is the InChIKey of 2-phenyldiazenylbenzamide?
The InChIKey is RNPHEKCWNBZQMV-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H11N3O/c14-13(17)11-8-4-5-9-12(11)16-15-10-6-2-1-3-7-10/h1-9H,(H2,14,17)/b16-15+.
What are the key properties of 2-phenyldiazenylbenzamide?
2-phenyldiazenylbenzamide has a molecular weight of 225.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldiazenylbenzamide is sourced from PubChem (CID 3752866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).