N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide

C14H8Cl2N2 — CID 88798246

IUPACN-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H8Cl2N2/c15-12-7-6-11(8-13(12)16)18-14(9-17)10-4-2-1-3-5-10/h1-8H/b18-14+
InChIKeyLAUCXKSYFRNARQ-NBVRZTHBSA-N
MW275.14 g/mol
LogP4.64
Rot. Bonds2

About N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide

N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide (PubChem CID 88798246) has the molecular formula C14H8Cl2N2 and a molecular weight of 275.14 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide
PubChem CID88798246
Molecular FormulaC14H8Cl2N2
Molecular Weight275.14 g/mol
Exact Mass274.01
IUPAC NameN-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H8Cl2N2/c15-12-7-6-11(8-13(12)16)18-14(9-17)10-4-2-1-3-5-10/h1-8H/b18-14+
InChIKeyLAUCXKSYFRNARQ-NBVRZTHBSA-N
XLogP4.64
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide?
The IUPAC name of N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide (CID 88798246) is N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide.
What is the SMILES notation for N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide?
The canonical SMILES for N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide is N#C/C(=N\c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide?
The InChIKey is LAUCXKSYFRNARQ-NBVRZTHBSA-N. The full InChI is InChI=1S/C14H8Cl2N2/c15-12-7-6-11(8-13(12)16)18-14(9-17)10-4-2-1-3-5-10/h1-8H/b18-14+.
What are the key properties of N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide?
N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide has a molecular weight of 275.14 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide is sourced from PubChem (CID 88798246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).