N-chloro-4-phenyldiazenylaniline

C12H10ClN3 — CID 88790195

IUPACN-chloro-4-phenyldiazenylaniline
SMILESClNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10ClN3/c13-14-10-6-8-12(9-7-10)16-15-11-4-2-1-3-5-11/h1-9,14H/b16-15+
InChIKeyJIEXLQVEMNYQLK-FOCLMDBBSA-N
MW231.69 g/mol
LogP4.67
Rot. Bonds3

About N-chloro-4-phenyldiazenylaniline

N-chloro-4-phenyldiazenylaniline (PubChem CID 88790195) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is N-chloro-4-phenyldiazenylaniline.

Molecular Properties

Compound NameN-chloro-4-phenyldiazenylaniline
PubChem CID88790195
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC NameN-chloro-4-phenyldiazenylaniline
SMILESClNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10ClN3/c13-14-10-6-8-12(9-7-10)16-15-11-4-2-1-3-5-11/h1-9,14H/b16-15+
InChIKeyJIEXLQVEMNYQLK-FOCLMDBBSA-N
XLogP4.67
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-chloro-4-phenyldiazenylaniline with MolForge

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

Launch Full Analysis

Related Compounds

ethane;N-methyl-4-phenyldiazenylaniline
CID 90785372
N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
CID 136797949
diphenyldiazene;hydrofluoride
CID 174857584
bis(diphenyldiazene);uranium;vanadium
CID 158886927
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
CID 5180654
1-phenyldiazenyl-4-(sulfinatoamino)benzene
CID 22283664
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
bis(4-phenyldiazenylphenyl) sulfate
CID 174735060
[4-(chloromethyl)phenyl]-phenyldiazene
CID 86122075
N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine
CID 19606814
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691

Frequently Asked Questions

What is the IUPAC name of N-chloro-4-phenyldiazenylaniline?
The IUPAC name of N-chloro-4-phenyldiazenylaniline (CID 88790195) is N-chloro-4-phenyldiazenylaniline.
What is the SMILES notation for N-chloro-4-phenyldiazenylaniline?
The canonical SMILES for N-chloro-4-phenyldiazenylaniline is ClNc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-chloro-4-phenyldiazenylaniline?
The InChIKey is JIEXLQVEMNYQLK-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-14-10-6-8-12(9-7-10)16-15-11-4-2-1-3-5-11/h1-9,14H/b16-15+.
What are the key properties of N-chloro-4-phenyldiazenylaniline?
N-chloro-4-phenyldiazenylaniline has a molecular weight of 231.69 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-phenyldiazenylaniline is sourced from PubChem (CID 88790195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).