2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile

C15H9Cl2NO — CID 43333833

IUPAC2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile
SMILESN#CC(C(=O)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-12-7-4-8-13(17)14(12)11(9-18)15(19)10-5-2-1-3-6-10/h1-8,11H
InChIKeyFDTBOXSJUKPRIU-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.48
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile

2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile (PubChem CID 43333833) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile
PubChem CID43333833
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile
SMILESN#CC(C(=O)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-12-7-4-8-13(17)14(12)11(9-18)15(19)10-5-2-1-3-6-10/h1-8,11H
InChIKeyFDTBOXSJUKPRIU-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 106687417
2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43334212
2-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-oxobutanenitrile
CID 15613829
2-(2,6-dichlorophenyl)-3-oxopentanenitrile
CID 43156692
2-(2-chloro-6-fluorophenyl)-3-(3,5-dibromophenyl)-3-oxopropanenitrile
CID 107972423
3-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43333874
2-(2,6-dichlorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile
CID 79803289
2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156823
2-(2,6-dichlorophenyl)-3-oxo-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 65153338
3-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43333887
3-(3-chloro-4-fluorophenyl)-3-oxo-2-phenylpropanenitrile
CID 82875579
(2R,3S)-2-(2,6-dichlorophenyl)-5-oxo-3,5-diphenylpentanenitrile
CID 980020

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile (CID 43333833) is 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile is N#CC(C(=O)c1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile?
The InChIKey is FDTBOXSJUKPRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-12-7-4-8-13(17)14(12)11(9-18)15(19)10-5-2-1-3-6-10/h1-8,11H.
What are the key properties of 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile?
2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile has a molecular weight of 290.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile is sourced from PubChem (CID 43333833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).