3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline

C21H16Cl2N2 — CID 88534155

IUPAC3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline
SMILESC=Cc1ccc(/C=N/N(c2cccc(Cl)c2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16Cl2N2/c1-2-16-9-11-17(12-10-16)15-24-25(20-7-3-5-18(22)13-20)21-8-4-6-19(23)14-21/h2-15H,1H2/b24-15+
InChIKeyYRGJVKSMOVESJV-BUVRLJJBSA-N
MW367.28 g/mol
LogP6.81
Rot. Bonds5

About 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline

3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline (PubChem CID 88534155) has the molecular formula C21H16Cl2N2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline
PubChem CID88534155
Molecular FormulaC21H16Cl2N2
Molecular Weight367.28 g/mol
Exact Mass366.07
IUPAC Name3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline
SMILESC=Cc1ccc(/C=N/N(c2cccc(Cl)c2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16Cl2N2/c1-2-16-9-11-17(12-10-16)15-24-25(20-7-3-5-18(22)13-20)21-8-4-6-19(23)14-21/h2-15H,1H2/b24-15+
InChIKeyYRGJVKSMOVESJV-BUVRLJJBSA-N
XLogP6.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 56.81
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 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline (CID 88534155) is 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline is C=Cc1ccc(/C=N/N(c2cccc(Cl)c2)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline?
The InChIKey is YRGJVKSMOVESJV-BUVRLJJBSA-N. The full InChI is InChI=1S/C21H16Cl2N2/c1-2-16-9-11-17(12-10-16)15-24-25(20-7-3-5-18(22)13-20)21-8-4-6-19(23)14-21/h2-15H,1H2/b24-15+.
What are the key properties of 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline?
3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline has a molecular weight of 367.28 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline is sourced from PubChem (CID 88534155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).