2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile

C13H7Cl2NO2 — CID 43334414

IUPAC2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccoc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2NO2/c14-9-1-2-10(12(15)5-9)11(6-16)13(17)8-3-4-18-7-8/h1-5,7,11H
InChIKeyVXYNMCXNAFTMIV-UHFFFAOYSA-N
MW280.11 g/mol
LogP4.08
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile

2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile (PubChem CID 43334414) has the molecular formula C13H7Cl2NO2 and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
PubChem CID43334414
Molecular FormulaC13H7Cl2NO2
Molecular Weight280.11 g/mol
Exact Mass278.99
IUPAC Name2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccoc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2NO2/c14-9-1-2-10(12(15)5-9)11(6-16)13(17)8-3-4-18-7-8/h1-5,7,11H
InChIKeyVXYNMCXNAFTMIV-UHFFFAOYSA-N
XLogP4.08
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 64561063
2-(2,4-dichlorophenyl)-3-oxo-3-thiophen-3-ylpropanenitrile
CID 43334418
2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156823
2-(2-bromophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 62828421
2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
CID 62649588
2-(2,4-dichlorophenyl)-3-(2-iodophenyl)-3-oxopropanenitrile
CID 43334391
2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156952
2-(2,4-dichlorophenyl)-5-methyl-3-oxohexanenitrile
CID 13374432
3-(2-bromo-5-methylphenyl)-2-(2,4-dichlorophenyl)-3-oxopropanenitrile
CID 81110130
2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43334740
3-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-3-oxopropanenitrile
CID 107988524
2-(2,4-dichlorophenyl)-3-oxo-4-propylheptanenitrile
CID 82985528

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile (CID 43334414) is 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile is N#CC(C(=O)c1ccoc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The InChIKey is VXYNMCXNAFTMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO2/c14-9-1-2-10(12(15)5-9)11(6-16)13(17)8-3-4-18-7-8/h1-5,7,11H.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile has a molecular weight of 280.11 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile is sourced from PubChem (CID 43334414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).