2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile

C19H11Cl2NO — CID 2867146

IUPAC2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C19H11Cl2NO/c20-16-5-1-13(2-6-16)15(12-22)11-18-9-10-19(23-18)14-3-7-17(21)8-4-14/h1-11H
InChIKeyGITDDPMLXONCSF-UHFFFAOYSA-N
MW340.21 g/mol
LogP6.32
Rot. Bonds3

About 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile

2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile (PubChem CID 2867146) has the molecular formula C19H11Cl2NO and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
PubChem CID2867146
Molecular FormulaC19H11Cl2NO
Molecular Weight340.21 g/mol
Exact Mass339.02
IUPAC Name2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C19H11Cl2NO/c20-16-5-1-13(2-6-16)15(12-22)11-18-9-10-19(23-18)14-3-7-17(21)8-4-14/h1-11H
InChIKeyGITDDPMLXONCSF-UHFFFAOYSA-N
XLogP6.32
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-acetylphenyl)furan-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile
CID 2951942
2-(4-chlorophenyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 5168069
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374853
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile
CID 126374267
3-[5-(4-chlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 3392732
4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967469
2-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 4710166
2-chloro-5-[5-[(E)-2-cyano-2-(4-iodophenyl)ethenyl]furan-2-yl]benzoic acid
CID 126377500
2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
CID 3704591
(Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile
CID 1278953
3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile
CID 2967435
3-[5-(4-bromophenyl)furan-2-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 4736357

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile?
The IUPAC name of 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile (CID 2867146) is 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile?
The canonical SMILES for 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile is N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile?
The InChIKey is GITDDPMLXONCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NO/c20-16-5-1-13(2-6-16)15(12-22)11-18-9-10-19(23-18)14-3-7-17(21)8-4-14/h1-11H.
What are the key properties of 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile?
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile has a molecular weight of 340.21 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile is sourced from PubChem (CID 2867146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).