3-(2-chlorophenyl)-2-phenylpropanenitrile

C15H12ClN — CID 82084814

IUPAC3-(2-chlorophenyl)-2-phenylpropanenitrile
SMILESN#CC(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClN/c16-15-9-5-4-8-13(15)10-14(11-17)12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyDNGHUWVJBXVDDU-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.19
Rot. Bonds3

About 3-(2-chlorophenyl)-2-phenylpropanenitrile

3-(2-chlorophenyl)-2-phenylpropanenitrile (PubChem CID 82084814) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-phenylpropanenitrile
PubChem CID82084814
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name3-(2-chlorophenyl)-2-phenylpropanenitrile
SMILESN#CC(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClN/c16-15-9-5-4-8-13(15)10-14(11-17)12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyDNGHUWVJBXVDDU-UHFFFAOYSA-N
XLogP4.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-amino-2-chlorophenyl)-2-phenylpropanenitrile
CID 134093171
3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile
CID 82139412
(2S)-2-chloro-3-(2-chlorophenyl)propanenitrile
CID 959169
3-(2,5-dimethylphenyl)-2-phenylpropanenitrile
CID 82141321
2-phenylpent-4-ynenitrile
CID 121216433
1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile
CID 64692028
3-(2,6-dichlorophenyl)sulfinyl-2-phenylpropanenitrile
CID 115477752
3-hydroxy-2-phenylpropanenitrile
CID 11008065
3-(3-chloro-4-methoxyphenyl)-2-phenylpropanenitrile
CID 82141770
3-(2-chlorophenyl)-2-pyrrolidin-1-ylpropanenitrile
CID 82083241
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-phenylpropanenitrile?
The IUPAC name of 3-(2-chlorophenyl)-2-phenylpropanenitrile (CID 82084814) is 3-(2-chlorophenyl)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(2-chlorophenyl)-2-phenylpropanenitrile?
The canonical SMILES for 3-(2-chlorophenyl)-2-phenylpropanenitrile is N#CC(Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-2-phenylpropanenitrile?
The InChIKey is DNGHUWVJBXVDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-15-9-5-4-8-13(15)10-14(11-17)12-6-2-1-3-7-12/h1-9,14H,10H2.
What are the key properties of 3-(2-chlorophenyl)-2-phenylpropanenitrile?
3-(2-chlorophenyl)-2-phenylpropanenitrile has a molecular weight of 241.72 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-phenylpropanenitrile is sourced from PubChem (CID 82084814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).