(1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide

C16H8Cl2N4 — CID 6512564

IUPAC(1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide
SMILESN#C/C(=N/N=C(/C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H8Cl2N4/c17-13-5-1-11(2-6-13)15(9-19)21-22-16(10-20)12-3-7-14(18)8-4-12/h1-8H/b21-15-,22-16-
InChIKeyWKFGRAPGKZQKFO-BMJUYKDLSA-N
MW327.17 g/mol
LogP4.23
Rot. Bonds3

About (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide

(1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide (PubChem CID 6512564) has the molecular formula C16H8Cl2N4 and a molecular weight of 327.17 g/mol. Its IUPAC name is (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide.

Molecular Properties

Compound Name(1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide
PubChem CID6512564
Molecular FormulaC16H8Cl2N4
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name(1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide
SMILESN#C/C(=N/N=C(/C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H8Cl2N4/c17-13-5-1-11(2-6-13)15(9-19)21-22-16(10-20)12-3-7-14(18)8-4-12/h1-8H/b21-15-,22-16-
InChIKeyWKFGRAPGKZQKFO-BMJUYKDLSA-N
XLogP4.23
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzhydrylideneamino)benzenecarboximidoyl cyanide
CID 165353120
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
2-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]propanedinitrile
CID 5473313
2-(4-chlorophenyl)-4-oxobut-2-enenitrile
CID 173446875
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)-3-phenylprop-2-enenitrile
CID 154089927
4-[(E)-C-cyano-N-hydroxycarbonimidoyl]benzonitrile
CID 88662999
(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
CID 173159716
(E)-3-(4-chlorophenyl)-2-trimethylsilylbut-2-enenitrile
CID 102401966
4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297
2-[chloro-[(E)-(4-chlorophenyl)methylideneamino]methylidene]propanedinitrile
CID 134921147
5-(4-chlorophenyl)hex-5-enenitrile
CID 21468007

Frequently Asked Questions

What is the IUPAC name of (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide?
The IUPAC name of (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide (CID 6512564) is (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide.
What is the SMILES notation for (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide?
The canonical SMILES for (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide is N#C/C(=N/N=C(/C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide?
The InChIKey is WKFGRAPGKZQKFO-BMJUYKDLSA-N. The full InChI is InChI=1S/C16H8Cl2N4/c17-13-5-1-11(2-6-13)15(9-19)21-22-16(10-20)12-3-7-14(18)8-4-12/h1-8H/b21-15-,22-16-.
What are the key properties of (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide?
(1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide has a molecular weight of 327.17 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide is sourced from PubChem (CID 6512564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).