4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile

C21H16ClN — CID 56986950

IUPAC4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCc2ccc(-c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C21H16ClN/c22-21-14-20(18-4-2-1-3-5-18)13-12-19(21)11-10-16-6-8-17(15-23)9-7-16/h1-9,12-14H,10-11H2
InChIKeyNQFZCZHPVMIGFC-UHFFFAOYSA-N
MW317.82 g/mol
LogP5.66
Rot. Bonds4

About 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile

4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile (PubChem CID 56986950) has the molecular formula C21H16ClN and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile
PubChem CID56986950
Molecular FormulaC21H16ClN
Molecular Weight317.82 g/mol
Exact Mass317.10
IUPAC Name4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCc2ccc(-c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C21H16ClN/c22-21-14-20(18-4-2-1-3-5-18)13-12-19(21)11-10-16-6-8-17(15-23)9-7-16/h1-9,12-14H,10-11H2
InChIKeyNQFZCZHPVMIGFC-UHFFFAOYSA-N
XLogP5.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.82
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile 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

4-[2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzonitrile
CID 57044335
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[4-(5-phenylpentyl)phenyl]benzonitrile
CID 101022686
4-(bromomethyl)-3-[2-(4-phenylphenyl)ethoxy]benzonitrile
CID 70247154
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-[3-(2-chloro-6-phenylpyrimidin-4-yl)phenyl]benzonitrile
CID 130452678
azulene-6-carbonitrile
CID 91533837
4-[(4-cyanophenyl)-(4-phenylphenyl)methyl]benzonitrile
CID 150609775
4-(8-phenyloctyl)benzonitrile
CID 21257462
4-[4-(2-sulfanylethyl)phenyl]benzonitrile
CID 101455253
3-chloro-4-(2-cyanoethyl)benzonitrile
CID 131029307
4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile?
The IUPAC name of 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile (CID 56986950) is 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile?
The canonical SMILES for 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile is N#Cc1ccc(CCc2ccc(-c3ccccc3)cc2Cl)cc1.
What is the InChIKey of 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile?
The InChIKey is NQFZCZHPVMIGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN/c22-21-14-20(18-4-2-1-3-5-18)13-12-19(21)11-10-16-6-8-17(15-23)9-7-16/h1-9,12-14H,10-11H2.
What are the key properties of 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile?
4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile has a molecular weight of 317.82 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile is sourced from PubChem (CID 56986950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).