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

C20H14N4O — CID 58861214

IUPACN-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
SMILESN#Cc1ccc(/N=N/c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C20H14N4O/c21-14-15-6-8-18(9-7-15)23-24-19-12-10-17(11-13-19)22-20(25)16-4-2-1-3-5-16/h1-13H,(H,22,25)/b24-23+
InChIKeyHSCYEIIOLHOWIC-WCWDXBQESA-N
MW326.36 g/mol
LogP5.23
Rot. Bonds4

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

N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide (PubChem CID 58861214) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
PubChem CID58861214
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC NameN-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
SMILESN#Cc1ccc(/N=N/c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C20H14N4O/c21-14-15-6-8-18(9-7-15)23-24-19-12-10-17(11-13-19)22-20(25)16-4-2-1-3-5-16/h1-13H,(H,22,25)/b24-23+
InChIKeyHSCYEIIOLHOWIC-WCWDXBQESA-N
XLogP5.23
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 55.23
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

N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide?
The IUPAC name of N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide (CID 58861214) is N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide is N#Cc1ccc(/N=N/c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide?
The InChIKey is HSCYEIIOLHOWIC-WCWDXBQESA-N. The full InChI is InChI=1S/C20H14N4O/c21-14-15-6-8-18(9-7-15)23-24-19-12-10-17(11-13-19)22-20(25)16-4-2-1-3-5-16/h1-13H,(H,22,25)/b24-23+.
What are the key properties of N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide?
N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide has a molecular weight of 326.36 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide is sourced from PubChem (CID 58861214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).