2-(4-chlorophenyl)-1-cyanoguanidine

C8H7ClN4 — CID 15140

IUPAC2-(4-chlorophenyl)-1-cyanoguanidine
SMILESN#CN/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,(H3,11,12,13)
InChIKeyJMEJOUCPQDFPFK-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.36
Rot. Bonds1

About 2-(4-chlorophenyl)-1-cyanoguanidine

2-(4-chlorophenyl)-1-cyanoguanidine (PubChem CID 15140) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-cyanoguanidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-cyanoguanidine
PubChem CID15140
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name2-(4-chlorophenyl)-1-cyanoguanidine
SMILESN#CN/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,(H3,11,12,13)
InChIKeyJMEJOUCPQDFPFK-UHFFFAOYSA-N
XLogP1.36
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-1-cyanoguanidine 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-(4-chlorophenyl)-1-cyanoguanidine?
The IUPAC name of 2-(4-chlorophenyl)-1-cyanoguanidine (CID 15140) is 2-(4-chlorophenyl)-1-cyanoguanidine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-cyanoguanidine?
The canonical SMILES for 2-(4-chlorophenyl)-1-cyanoguanidine is N#CN/C(N)=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-cyanoguanidine?
The InChIKey is JMEJOUCPQDFPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,(H3,11,12,13).
What are the key properties of 2-(4-chlorophenyl)-1-cyanoguanidine?
2-(4-chlorophenyl)-1-cyanoguanidine has a molecular weight of 194.62 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-cyanoguanidine is sourced from PubChem (CID 15140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).