(Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine

C15H11Cl2N — CID 122707265

IUPAC(Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine
SMILESClc1ccc(Cl)c(/N=C/C=C\c2ccccc2)c1
InChIInChI=1S/C15H11Cl2N/c16-13-8-9-14(17)15(11-13)18-10-4-7-12-5-2-1-3-6-12/h1-11H/b7-4-,18-10+
InChIKeyRMTADQUYMPXLIZ-WTWSDYARSA-N
MW276.17 g/mol
LogP5.41
Rot. Bonds3

About (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine

(Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine (PubChem CID 122707265) has the molecular formula C15H11Cl2N and a molecular weight of 276.17 g/mol. Its IUPAC name is (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine
PubChem CID122707265
Molecular FormulaC15H11Cl2N
Molecular Weight276.17 g/mol
Exact Mass275.03
IUPAC Name(Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine
SMILESClc1ccc(Cl)c(/N=C/C=C\c2ccccc2)c1
InChIInChI=1S/C15H11Cl2N/c16-13-8-9-14(17)15(11-13)18-10-4-7-12-5-2-1-3-6-12/h1-11H/b7-4-,18-10+
InChIKeyRMTADQUYMPXLIZ-WTWSDYARSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.17
LogP ≤ 55.41
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 (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine (CID 122707265) is (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine is Clc1ccc(Cl)c(/N=C/C=C\c2ccccc2)c1.
What is the InChIKey of (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine?
The InChIKey is RMTADQUYMPXLIZ-WTWSDYARSA-N. The full InChI is InChI=1S/C15H11Cl2N/c16-13-8-9-14(17)15(11-13)18-10-4-7-12-5-2-1-3-6-12/h1-11H/b7-4-,18-10+.
What are the key properties of (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine?
(Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine has a molecular weight of 276.17 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 122707265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).