(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile

C19H11Cl2NO — CID 726351

IUPAC(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1
InChIInChI=1S/C19H11Cl2NO/c20-17-8-4-7-16(19(17)21)18-10-9-15(23-18)11-14(12-22)13-5-2-1-3-6-13/h1-11H/b14-11+
InChIKeyOXJUNMCQCLHMFL-SDNWHVSQSA-N
MW340.21 g/mol
LogP6.32
Rot. Bonds3

About (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile

(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile (PubChem CID 726351) has the molecular formula C19H11Cl2NO and a molecular weight of 340.21 g/mol. Its IUPAC name is (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
PubChem CID726351
Molecular FormulaC19H11Cl2NO
Molecular Weight340.21 g/mol
Exact Mass339.02
IUPAC Name(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1
InChIInChI=1S/C19H11Cl2NO/c20-17-8-4-7-16(19(17)21)18-10-9-15(23-18)11-14(12-22)13-5-2-1-3-6-13/h1-11H/b14-11+
InChIKeyOXJUNMCQCLHMFL-SDNWHVSQSA-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

2-(1H-benzimidazol-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2850991
3-[5-(2-nitrophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
CID 941435
2-(4-chlorophenyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 5168069
3-[5-[2-(2-chlorophenyl)-2-cyanoethenyl]furan-2-yl]benzoic acid
CID 926440
3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
CID 3989383
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-prop-2-enylprop-2-enamide
CID 2713727
2-(1,3-benzothiazol-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 3903152
(E)-2-cyano-N-cyclopentyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 126197604
2-methylpropyl 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoate
CID 3730730
(E)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
CID 126371455
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863481

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile (CID 726351) is (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1.
What is the InChIKey of (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
The InChIKey is OXJUNMCQCLHMFL-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H11Cl2NO/c20-17-8-4-7-16(19(17)21)18-10-9-15(23-18)11-14(12-22)13-5-2-1-3-6-13/h1-11H/b14-11+.
What are the key properties of (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-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 (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile is sourced from PubChem (CID 726351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).