N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline

C20H17ClN2 — CID 53376188

IUPACN-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline
SMILESClc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17ClN2/c21-19-13-11-17(12-14-19)15-22-23(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-15H,16H2/b22-15+
InChIKeyIVKRMHGMEFHQMP-PXLXIMEGSA-N
MW320.82 g/mol
LogP5.38
Rot. Bonds5

About N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline

N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline (PubChem CID 53376188) has the molecular formula C20H17ClN2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline
PubChem CID53376188
Molecular FormulaC20H17ClN2
Molecular Weight320.82 g/mol
Exact Mass320.11
IUPAC NameN-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline
SMILESClc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17ClN2/c21-19-13-11-17(12-14-19)15-22-23(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-15H,16H2/b22-15+
InChIKeyIVKRMHGMEFHQMP-PXLXIMEGSA-N
XLogP5.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline?
The IUPAC name of N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline (CID 53376188) is N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline is Clc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline?
The InChIKey is IVKRMHGMEFHQMP-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H17ClN2/c21-19-13-11-17(12-14-19)15-22-23(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-15H,16H2/b22-15+.
What are the key properties of N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline?
N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline has a molecular weight of 320.82 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]aniline is sourced from PubChem (CID 53376188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).