(E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine

C14H9Br2Cl2NO — CID 59021940

IUPAC(E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine
SMILESCc1c(Br)cc(/C=N/Oc2cc(Cl)cc(Cl)c2)cc1Br
InChIInChI=1S/C14H9Br2Cl2NO/c1-8-13(15)2-9(3-14(8)16)7-19-20-12-5-10(17)4-11(18)6-12/h2-7H,1H3/b19-7+
InChIKeyQPRHDZRILJKGHT-FBCYGCLPSA-N
MW437.95 g/mol
LogP6.24
Rot. Bonds3

About (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine

(E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine (PubChem CID 59021940) has the molecular formula C14H9Br2Cl2NO and a molecular weight of 437.95 g/mol. Its IUPAC name is (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine.

Molecular Properties

Compound Name(E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine
PubChem CID59021940
Molecular FormulaC14H9Br2Cl2NO
Molecular Weight437.95 g/mol
Exact Mass434.84
IUPAC Name(E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine
SMILESCc1c(Br)cc(/C=N/Oc2cc(Cl)cc(Cl)c2)cc1Br
InChIInChI=1S/C14H9Br2Cl2NO/c1-8-13(15)2-9(3-14(8)16)7-19-20-12-5-10(17)4-11(18)6-12/h2-7H,1H3/b19-7+
InChIKeyQPRHDZRILJKGHT-FBCYGCLPSA-N
XLogP6.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 56.24
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 (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine?
The IUPAC name of (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine (CID 59021940) is (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine.
What is the SMILES notation for (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine?
The canonical SMILES for (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine is Cc1c(Br)cc(/C=N/Oc2cc(Cl)cc(Cl)c2)cc1Br.
What is the InChIKey of (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine?
The InChIKey is QPRHDZRILJKGHT-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H9Br2Cl2NO/c1-8-13(15)2-9(3-14(8)16)7-19-20-12-5-10(17)4-11(18)6-12/h2-7H,1H3/b19-7+.
What are the key properties of (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine?
(E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine has a molecular weight of 437.95 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-dibromo-4-methylphenyl)-N-(3,5-dichlorophenoxy)methanimine is sourced from PubChem (CID 59021940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).