N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine

C21H16ClN — CID 16658064

IUPACN-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine
SMILESClc1ccc(/C=C/N=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16ClN/c22-20-13-11-17(12-14-20)15-16-23-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16H/b16-15+
InChIKeyXMDCJXLGGAAXJE-FOCLMDBBSA-N
MW317.82 g/mol
LogP5.85
Rot. Bonds4

About N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine

N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine (PubChem CID 16658064) has the molecular formula C21H16ClN and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine
PubChem CID16658064
Molecular FormulaC21H16ClN
Molecular Weight317.82 g/mol
Exact Mass317.10
IUPAC NameN-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine
SMILESClc1ccc(/C=C/N=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16ClN/c22-20-13-11-17(12-14-20)15-16-23-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16H/b16-15+
InChIKeyXMDCJXLGGAAXJE-FOCLMDBBSA-N
XLogP5.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.82
LogP ≤ 55.85
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-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine (CID 16658064) is N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine is Clc1ccc(/C=C/N=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine?
The InChIKey is XMDCJXLGGAAXJE-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H16ClN/c22-20-13-11-17(12-14-20)15-16-23-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16H/b16-15+.
What are the key properties of N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine?
N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine has a molecular weight of 317.82 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-chlorophenyl)ethenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 16658064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).