2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide

C15H11ClN4O — CID 71575511

IUPAC2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1C(/N=N/c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C15H11ClN4O/c16-11-5-7-12(8-6-11)19-20-14(15(18)21)13-4-2-1-3-10(13)9-17/h1-8,14H,(H2,18,21)/b20-19+
InChIKeyFQEWPYUPTJLIEF-FMQUCBEESA-N
MW298.73 g/mol
LogP3.52
Rot. Bonds4

About 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide

2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide (PubChem CID 71575511) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide
PubChem CID71575511
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1C(/N=N/c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C15H11ClN4O/c16-11-5-7-12(8-6-11)19-20-14(15(18)21)13-4-2-1-3-10(13)9-17/h1-8,14H,(H2,18,21)/b20-19+
InChIKeyFQEWPYUPTJLIEF-FMQUCBEESA-N
XLogP3.52
TPSA91.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide (CID 71575511) is 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide is N#Cc1ccccc1C(/N=N/c1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide?
The InChIKey is FQEWPYUPTJLIEF-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-5-7-12(8-6-11)19-20-14(15(18)21)13-4-2-1-3-10(13)9-17/h1-8,14H,(H2,18,21)/b20-19+.
What are the key properties of 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide?
2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide has a molecular weight of 298.73 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide is sourced from PubChem (CID 71575511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).