2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide

C17H16N4O — CID 168521733

IUPAC2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide
SMILESCc1ccc(/N=N/c2cc(C)ccc2NC(=O)CC#N)cc1
InChIInChI=1S/C17H16N4O/c1-12-3-6-14(7-4-12)20-21-16-11-13(2)5-8-15(16)19-17(22)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,22)/b21-20+
InChIKeyJCSHYFBPSXTJIH-QZQOTICOSA-N
MW292.34 g/mol
LogP4.57
Rot. Bonds4

About 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide

2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide (PubChem CID 168521733) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide
PubChem CID168521733
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide
SMILESCc1ccc(/N=N/c2cc(C)ccc2NC(=O)CC#N)cc1
InChIInChI=1S/C17H16N4O/c1-12-3-6-14(7-4-12)20-21-16-11-13(2)5-8-15(16)19-17(22)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,22)/b21-20+
InChIKeyJCSHYFBPSXTJIH-QZQOTICOSA-N
XLogP4.57
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.57
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-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
CID 168523802
N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-4-[4-[[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]carbamoyl]phenoxy]benzamide
CID 2852723
N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
CID 168521332
3-bromo-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]benzamide
CID 7927272
ethyl N-[[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]carbamothioyl]carbamate
CID 5134886
N-(3-acetyl-2-hydroxy-5-methylphenyl)-2-cyanoacetamide
CID 168520579
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
3-[(2-cyanoacetyl)amino]-2-hydroxy-5-methylbenzenesulfonic acid
CID 168523008
N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16562621
N-(2-isocyanato-4-methylphenyl)propanamide
CID 169352363

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide (CID 168521733) is 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide is Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide?
The InChIKey is JCSHYFBPSXTJIH-QZQOTICOSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-3-6-14(7-4-12)20-21-16-11-13(2)5-8-15(16)19-17(22)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,22)/b21-20+.
What are the key properties of 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide?
2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 168521733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).