(E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine

C18H18BrClFN3 — CID 6879409

IUPAC(E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
SMILESFc1ccc(Br)cc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClFN3/c19-16-3-6-18(21)15(11-16)12-22-24-9-7-23(8-10-24)13-14-1-4-17(20)5-2-14/h1-6,11-12H,7-10,13H2/b22-12+
InChIKeyFOJNXULFZVMRLV-WSDLNYQXSA-N
MW410.72 g/mol
LogP4.39
Rot. Bonds4

About (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine

(E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine (PubChem CID 6879409) has the molecular formula C18H18BrClFN3 and a molecular weight of 410.72 g/mol. Its IUPAC name is (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
PubChem CID6879409
Molecular FormulaC18H18BrClFN3
Molecular Weight410.72 g/mol
Exact Mass409.04
IUPAC Name(E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
SMILESFc1ccc(Br)cc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClFN3/c19-16-3-6-18(21)15(11-16)12-22-24-9-7-23(8-10-24)13-14-1-4-17(20)5-2-14/h1-6,11-12H,7-10,13H2/b22-12+
InChIKeyFOJNXULFZVMRLV-WSDLNYQXSA-N
XLogP4.39
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.72
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine (CID 6879409) is (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine is Fc1ccc(Br)cc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine?
The InChIKey is FOJNXULFZVMRLV-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H18BrClFN3/c19-16-3-6-18(21)15(11-16)12-22-24-9-7-23(8-10-24)13-14-1-4-17(20)5-2-14/h1-6,11-12H,7-10,13H2/b22-12+.
What are the key properties of (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine?
(E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine has a molecular weight of 410.72 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine is sourced from PubChem (CID 6879409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).