N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride

C20H15Cl2N — CID 10427339

IUPACN-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride
SMILESCl/C(=N\Cc1ccccc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15Cl2N/c21-18-12-10-15(11-13-18)19-9-5-4-8-17(19)14-23-20(22)16-6-2-1-3-7-16/h1-13H,14H2/b23-20-
InChIKeyIFULICQXVNYEGL-ATJXCDBQSA-N
MW340.25 g/mol
LogP6.19
Rot. Bonds4

About N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride

N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride (PubChem CID 10427339) has the molecular formula C20H15Cl2N and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride
PubChem CID10427339
Molecular FormulaC20H15Cl2N
Molecular Weight340.25 g/mol
Exact Mass339.06
IUPAC NameN-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride
SMILESCl/C(=N\Cc1ccccc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15Cl2N/c21-18-12-10-15(11-13-18)19-9-5-4-8-17(19)14-23-20(22)16-6-2-1-3-7-16/h1-13H,14H2/b23-20-
InChIKeyIFULICQXVNYEGL-ATJXCDBQSA-N
XLogP6.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.25
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride?
The IUPAC name of N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride (CID 10427339) is N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride.
What is the SMILES notation for N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride?
The canonical SMILES for N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride is Cl/C(=N\Cc1ccccc1-c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride?
The InChIKey is IFULICQXVNYEGL-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H15Cl2N/c21-18-12-10-15(11-13-18)19-9-5-4-8-17(19)14-23-20(22)16-6-2-1-3-7-16/h1-13H,14H2/b23-20-.
What are the key properties of N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride?
N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride has a molecular weight of 340.25 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride is sourced from PubChem (CID 10427339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).