2,3-bis(4-chlorophenyl)propanenitrile

C15H11Cl2N — CID 5156743

IUPAC2,3-bis(4-chlorophenyl)propanenitrile
SMILESN#CC(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13H,9H2
InChIKeyMUIYVHDFAMWHHP-UHFFFAOYSA-N
MW276.17 g/mol
LogP4.84
Rot. Bonds3

About 2,3-bis(4-chlorophenyl)propanenitrile

2,3-bis(4-chlorophenyl)propanenitrile (PubChem CID 5156743) has the molecular formula C15H11Cl2N and a molecular weight of 276.17 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)propanenitrile.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)propanenitrile
PubChem CID5156743
Molecular FormulaC15H11Cl2N
Molecular Weight276.17 g/mol
Exact Mass275.03
IUPAC Name2,3-bis(4-chlorophenyl)propanenitrile
SMILESN#CC(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13H,9H2
InChIKeyMUIYVHDFAMWHHP-UHFFFAOYSA-N
XLogP4.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)propanenitrile?
The IUPAC name of 2,3-bis(4-chlorophenyl)propanenitrile (CID 5156743) is 2,3-bis(4-chlorophenyl)propanenitrile.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)propanenitrile?
The canonical SMILES for 2,3-bis(4-chlorophenyl)propanenitrile is N#CC(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)propanenitrile?
The InChIKey is MUIYVHDFAMWHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13H,9H2.
What are the key properties of 2,3-bis(4-chlorophenyl)propanenitrile?
2,3-bis(4-chlorophenyl)propanenitrile has a molecular weight of 276.17 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)propanenitrile is sourced from PubChem (CID 5156743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).