2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide

C9H6ClIN4O — CID 91001598

IUPAC2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide
SMILESN#CC(/N=N/c1ccc(I)cc1Cl)C(N)=O
InChIInChI=1S/C9H6ClIN4O/c10-6-3-5(11)1-2-7(6)14-15-8(4-12)9(13)16/h1-3,8H,(H2,13,16)/b15-14+
InChIKeyNGFQKCOKZDJJPK-CCEZHUSRSA-N
MW348.53 g/mol
LogP2.41
Rot. Bonds3

About 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide

2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide (PubChem CID 91001598) has the molecular formula C9H6ClIN4O and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide
PubChem CID91001598
Molecular FormulaC9H6ClIN4O
Molecular Weight348.53 g/mol
Exact Mass347.93
IUPAC Name2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide
SMILESN#CC(/N=N/c1ccc(I)cc1Cl)C(N)=O
InChIInChI=1S/C9H6ClIN4O/c10-6-3-5(11)1-2-7(6)14-15-8(4-12)9(13)16/h1-3,8H,(H2,13,16)/b15-14+
InChIKeyNGFQKCOKZDJJPK-CCEZHUSRSA-N
XLogP2.41
TPSA91.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 52.41
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide?
The IUPAC name of 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide (CID 91001598) is 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide.
What is the SMILES notation for 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide?
The canonical SMILES for 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide is N#CC(/N=N/c1ccc(I)cc1Cl)C(N)=O.
What is the InChIKey of 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide?
The InChIKey is NGFQKCOKZDJJPK-CCEZHUSRSA-N. The full InChI is InChI=1S/C9H6ClIN4O/c10-6-3-5(11)1-2-7(6)14-15-8(4-12)9(13)16/h1-3,8H,(H2,13,16)/b15-14+.
What are the key properties of 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide?
2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide has a molecular weight of 348.53 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-iodophenyl)diazenyl]-2-cyanoacetamide is sourced from PubChem (CID 91001598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).