3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile

C15H9Cl2NO — CID 173419013

IUPAC3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile
SMILESN#CCC(=O)c1c(Cl)cccc1-c1ccccc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-12-6-2-1-4-10(12)11-5-3-7-13(17)15(11)14(19)8-9-18/h1-7H,8H2
InChIKeyZOFQYPMMHRXXOV-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.76
Rot. Bonds3

About 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile

3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile (PubChem CID 173419013) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile
PubChem CID173419013
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile
SMILESN#CCC(=O)c1c(Cl)cccc1-c1ccccc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-12-6-2-1-4-10(12)11-5-3-7-13(17)15(11)14(19)8-9-18/h1-7H,8H2
InChIKeyZOFQYPMMHRXXOV-UHFFFAOYSA-N
XLogP4.76
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile?
The IUPAC name of 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile (CID 173419013) is 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile?
The canonical SMILES for 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile is N#CCC(=O)c1c(Cl)cccc1-c1ccccc1Cl.
What is the InChIKey of 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile?
The InChIKey is ZOFQYPMMHRXXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-12-6-2-1-4-10(12)11-5-3-7-13(17)15(11)14(19)8-9-18/h1-7H,8H2.
What are the key properties of 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile?
3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile has a molecular weight of 290.15 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(2-chlorophenyl)phenyl]-3-oxopropanenitrile is sourced from PubChem (CID 173419013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).