(Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine

C14H11Br2NO — CID 91153583

IUPAC(Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine
SMILESCc1c(Br)cc(/C=N\Oc2ccccc2)cc1Br
InChIInChI=1S/C14H11Br2NO/c1-10-13(15)7-11(8-14(10)16)9-17-18-12-5-3-2-4-6-12/h2-9H,1H3/b17-9-
InChIKeyXAEXOWZIUASWJM-MFOYZWKCSA-N
MW369.06 g/mol
LogP4.93
Rot. Bonds3

About (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine

(Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine (PubChem CID 91153583) has the molecular formula C14H11Br2NO and a molecular weight of 369.06 g/mol. Its IUPAC name is (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine.

Molecular Properties

Compound Name(Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine
PubChem CID91153583
Molecular FormulaC14H11Br2NO
Molecular Weight369.06 g/mol
Exact Mass366.92
IUPAC Name(Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine
SMILESCc1c(Br)cc(/C=N\Oc2ccccc2)cc1Br
InChIInChI=1S/C14H11Br2NO/c1-10-13(15)7-11(8-14(10)16)9-17-18-12-5-3-2-4-6-12/h2-9H,1H3/b17-9-
InChIKeyXAEXOWZIUASWJM-MFOYZWKCSA-N
XLogP4.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.93
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 (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine?
The IUPAC name of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine (CID 91153583) is (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine.
What is the SMILES notation for (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine?
The canonical SMILES for (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine is Cc1c(Br)cc(/C=N\Oc2ccccc2)cc1Br.
What is the InChIKey of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine?
The InChIKey is XAEXOWZIUASWJM-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H11Br2NO/c1-10-13(15)7-11(8-14(10)16)9-17-18-12-5-3-2-4-6-12/h2-9H,1H3/b17-9-.
What are the key properties of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine?
(Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine has a molecular weight of 369.06 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,5-dibromo-4-methylphenyl)-N-phenoxymethanimine is sourced from PubChem (CID 91153583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).