2-(2-anilinoethenyl)-5-chlorobenzonitrile

C15H11ClN2 — CID 175320904

IUPAC2-(2-anilinoethenyl)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1C=CNc1ccccc1
InChIInChI=1S/C15H11ClN2/c16-14-7-6-12(13(10-14)11-17)8-9-18-15-4-2-1-3-5-15/h1-10,18H
InChIKeyOCJCLKKMFZMGME-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.29
Rot. Bonds3

About 2-(2-anilinoethenyl)-5-chlorobenzonitrile

2-(2-anilinoethenyl)-5-chlorobenzonitrile (PubChem CID 175320904) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(2-anilinoethenyl)-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-anilinoethenyl)-5-chlorobenzonitrile
PubChem CID175320904
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name2-(2-anilinoethenyl)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1C=CNc1ccccc1
InChIInChI=1S/C15H11ClN2/c16-14-7-6-12(13(10-14)11-17)8-9-18-15-4-2-1-3-5-15/h1-10,18H
InChIKeyOCJCLKKMFZMGME-UHFFFAOYSA-N
XLogP4.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-anilinoethenyl)-5-chlorobenzonitrile 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-(2-anilinoethenyl)-5-chlorobenzonitrile?
The IUPAC name of 2-(2-anilinoethenyl)-5-chlorobenzonitrile (CID 175320904) is 2-(2-anilinoethenyl)-5-chlorobenzonitrile.
What is the SMILES notation for 2-(2-anilinoethenyl)-5-chlorobenzonitrile?
The canonical SMILES for 2-(2-anilinoethenyl)-5-chlorobenzonitrile is N#Cc1cc(Cl)ccc1C=CNc1ccccc1.
What is the InChIKey of 2-(2-anilinoethenyl)-5-chlorobenzonitrile?
The InChIKey is OCJCLKKMFZMGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-14-7-6-12(13(10-14)11-17)8-9-18-15-4-2-1-3-5-15/h1-10,18H.
What are the key properties of 2-(2-anilinoethenyl)-5-chlorobenzonitrile?
2-(2-anilinoethenyl)-5-chlorobenzonitrile has a molecular weight of 254.72 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilinoethenyl)-5-chlorobenzonitrile is sourced from PubChem (CID 175320904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).