N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide

C21H16N6O — CID 126494635

IUPACN-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C21H16N6O/c1-15(28)23-17-6-8-19(9-7-17)25-27-21-12-10-20(11-13-21)26-24-18-4-2-16(14-22)3-5-18/h2-13H,1H3,(H,23,28)/b26-24+,27-25+
InChIKeyDDIYXMYSEVKMLJ-OWUYFMIJSA-N
MW368.40 g/mol
LogP6.35
Rot. Bonds5

About N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide

N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide (PubChem CID 126494635) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
PubChem CID126494635
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC NameN-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C21H16N6O/c1-15(28)23-17-6-8-19(9-7-17)25-27-21-12-10-20(11-13-21)26-24-18-4-2-16(14-22)3-5-18/h2-13H,1H3,(H,23,28)/b26-24+,27-25+
InChIKeyDDIYXMYSEVKMLJ-OWUYFMIJSA-N
XLogP6.35
TPSA102.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
CID 58861214
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
CID 137186099
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
CID 121238654
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
5-acetamido-N-(4-cyanophenyl)furan-2-carboxamide
CID 110700003
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide (CID 126494635) is N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide is CC(=O)Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide?
The InChIKey is DDIYXMYSEVKMLJ-OWUYFMIJSA-N. The full InChI is InChI=1S/C21H16N6O/c1-15(28)23-17-6-8-19(9-7-17)25-27-21-12-10-20(11-13-21)26-24-18-4-2-16(14-22)3-5-18/h2-13H,1H3,(H,23,28)/b26-24+,27-25+.
What are the key properties of N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide?
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide is sourced from PubChem (CID 126494635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).