2-amino-1-(2-phenyldiazenylphenyl)ethanone

C14H13N3O — CID 175689798

IUPAC2-amino-1-(2-phenyldiazenylphenyl)ethanone
SMILESNCC(=O)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C14H13N3O/c15-10-14(18)12-8-4-5-9-13(12)17-16-11-6-2-1-3-7-11/h1-9H,10,15H2/b17-16+
InChIKeyMSAHPVLKNPVNTK-WUKNDPDISA-N
MW239.28 g/mol
LogP3.24
Rot. Bonds4

About 2-amino-1-(2-phenyldiazenylphenyl)ethanone

2-amino-1-(2-phenyldiazenylphenyl)ethanone (PubChem CID 175689798) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-1-(2-phenyldiazenylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-phenyldiazenylphenyl)ethanone
PubChem CID175689798
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-amino-1-(2-phenyldiazenylphenyl)ethanone
SMILESNCC(=O)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C14H13N3O/c15-10-14(18)12-8-4-5-9-13(12)17-16-11-6-2-1-3-7-11/h1-9H,10,15H2/b17-16+
InChIKeyMSAHPVLKNPVNTK-WUKNDPDISA-N
XLogP3.24
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.24
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'}

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Related Compounds

2-phenyldiazenylbenzamide
CID 3752866
diphenyldiazene;urea
CID 175083568
2-phenyldiazenylbenzenecarboximidamide
CID 154141709
(4-fluorophenyl)-(2-phenyldiazenylphenyl)methanone
CID 132531231
4-benzylphenol;2-[(4-hydroxyphenyl)diazenyl]benzoic acid;4-phenyldiazenylphenol
CID 159605482
cyclohexyl-(2-phenyldiazenylphenyl)methanone
CID 134844297
(2-phenyldiazenylphenyl)-thiophen-2-ylmethanone
CID 138980695
5-amino-2-phenyldiazenylbenzoic acid
CID 23165759
2-[(4-anilinophenyl)diazenyl]benzoic acid
CID 101005663
2-phenyldiazenylphenol
CID 16897
2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
CID 13038165
2-[[4-(diethylamino)phenyl]diazenyl]benzoic acid iodide
CID 20831759

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-phenyldiazenylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-phenyldiazenylphenyl)ethanone (CID 175689798) is 2-amino-1-(2-phenyldiazenylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-phenyldiazenylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-phenyldiazenylphenyl)ethanone is NCC(=O)c1ccccc1/N=N/c1ccccc1.
What is the InChIKey of 2-amino-1-(2-phenyldiazenylphenyl)ethanone?
The InChIKey is MSAHPVLKNPVNTK-WUKNDPDISA-N. The full InChI is InChI=1S/C14H13N3O/c15-10-14(18)12-8-4-5-9-13(12)17-16-11-6-2-1-3-7-11/h1-9H,10,15H2/b17-16+.
What are the key properties of 2-amino-1-(2-phenyldiazenylphenyl)ethanone?
2-amino-1-(2-phenyldiazenylphenyl)ethanone has a molecular weight of 239.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-phenyldiazenylphenyl)ethanone is sourced from PubChem (CID 175689798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).