(Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine

C15H9Cl2FN4 — CID 19994943

IUPAC(Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine
SMILESFc1ccc(/C(=N/n2cncn2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H9Cl2FN4/c16-11-3-6-13(14(17)7-11)15(21-22-9-19-8-20-22)10-1-4-12(18)5-2-10/h1-9H/b21-15-
InChIKeyWPJKUOUKMCASEN-QNGOZBTKSA-N
MW335.17 g/mol
LogP4.02
Rot. Bonds3

About (Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine

(Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine (PubChem CID 19994943) has the molecular formula C15H9Cl2FN4 and a molecular weight of 335.17 g/mol. Its IUPAC name is (Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine
PubChem CID19994943
Molecular FormulaC15H9Cl2FN4
Molecular Weight335.17 g/mol
Exact Mass334.02
IUPAC Name(Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine
SMILESFc1ccc(/C(=N/n2cncn2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H9Cl2FN4/c16-11-3-6-13(14(17)7-11)15(21-22-9-19-8-20-22)10-1-4-12(18)5-2-10/h1-9H/b21-15-
InChIKeyWPJKUOUKMCASEN-QNGOZBTKSA-N
XLogP4.02
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine?
The IUPAC name of (Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine (CID 19994943) is (Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine.
What is the SMILES notation for (Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine?
The canonical SMILES for (Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine is Fc1ccc(/C(=N/n2cncn2)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine?
The InChIKey is WPJKUOUKMCASEN-QNGOZBTKSA-N. The full InChI is InChI=1S/C15H9Cl2FN4/c16-11-3-6-13(14(17)7-11)15(21-22-9-19-8-20-22)10-1-4-12(18)5-2-10/h1-9H/b21-15-.
What are the key properties of (Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine?
(Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine has a molecular weight of 335.17 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine is sourced from PubChem (CID 19994943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).