2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide

C15H15ClN4 — CID 169367592

IUPAC2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide
SMILESCc1cc(/N=N/c2ccccc2)ccc1/N=C(/N)CCl
InChIInChI=1S/C15H15ClN4/c1-11-9-13(7-8-14(11)18-15(17)10-16)20-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18)/b20-19+
InChIKeyFWOQCUVNYNKCMX-FMQUCBEESA-N
MW286.77 g/mol
LogP4.64
Rot. Bonds4

About 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide

2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide (PubChem CID 169367592) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide
PubChem CID169367592
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide
SMILESCc1cc(/N=N/c2ccccc2)ccc1/N=C(/N)CCl
InChIInChI=1S/C15H15ClN4/c1-11-9-13(7-8-14(11)18-15(17)10-16)20-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18)/b20-19+
InChIKeyFWOQCUVNYNKCMX-FMQUCBEESA-N
XLogP4.64
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide (CID 169367592) is 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide is Cc1cc(/N=N/c2ccccc2)ccc1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide?
The InChIKey is FWOQCUVNYNKCMX-FMQUCBEESA-N. The full InChI is InChI=1S/C15H15ClN4/c1-11-9-13(7-8-14(11)18-15(17)10-16)20-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18)/b20-19+.
What are the key properties of 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide?
2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide has a molecular weight of 286.77 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide is sourced from PubChem (CID 169367592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).