4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile

C16H8Cl2N2 — CID 967403

IUPAC4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C16H8Cl2N2/c17-15-6-5-13(16(18)8-15)7-14(10-20)12-3-1-11(9-19)2-4-12/h1-8H/b14-7+
InChIKeyVKXQGIYKMLIQEF-VGOFMYFVSA-N
MW299.16 g/mol
LogP4.93
Rot. Bonds2

About 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile

4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile (PubChem CID 967403) has the molecular formula C16H8Cl2N2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile
PubChem CID967403
Molecular FormulaC16H8Cl2N2
Molecular Weight299.16 g/mol
Exact Mass298.01
IUPAC Name4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C16H8Cl2N2/c17-15-6-5-13(16(18)8-15)7-14(10-20)12-3-1-11(9-19)2-4-12/h1-8H/b14-7+
InChIKeyVKXQGIYKMLIQEF-VGOFMYFVSA-N
XLogP4.93
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 3302131
3-amino-5-[1-cyano-2-(2,4-dichlorophenyl)ethenyl]-1H-pyrazole-4-carbonitrile
CID 78595972
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
(Z)-3-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenyl)prop-2-enenitrile
CID 912086
3-[2-(4-chlorophenyl)-1-cyanoethenyl]benzonitrile
CID 3913504
4-[(E)-1-cyano-2-(3,5-dibromo-4-methylphenyl)ethenyl]benzonitrile
CID 126373068
(E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 6518134
(Z)-2-(1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 7448091
2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
CID 2737937
2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
CID 1483069
(E)-2-(4-chlorophenyl)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enenitrile
CID 98201272
2-(4-chlorophenyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 5168069

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile (CID 967403) is 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile is N#C/C(=C\c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile?
The InChIKey is VKXQGIYKMLIQEF-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H8Cl2N2/c17-15-6-5-13(16(18)8-15)7-14(10-20)12-3-1-11(9-19)2-4-12/h1-8H/b14-7+.
What are the key properties of 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile?
4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile has a molecular weight of 299.16 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile is sourced from PubChem (CID 967403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).