4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide

C14H9Br3N2O2 — CID 135569113

IUPAC4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Br)cc1
InChIInChI=1S/C14H9Br3N2O2/c15-10-3-1-8(2-4-10)14(21)19-18-7-9-5-11(16)6-12(17)13(9)20/h1-7,20H,(H,19,21)/b18-7+
InChIKeyQERLWOMVFDBAFP-CNHKJKLMSA-N
MW476.95 g/mol
LogP4.44
Rot. Bonds3

About 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide

4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135569113) has the molecular formula C14H9Br3N2O2 and a molecular weight of 476.95 g/mol. Its IUPAC name is 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135569113
Molecular FormulaC14H9Br3N2O2
Molecular Weight476.95 g/mol
Exact Mass473.82
IUPAC Name4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Br)cc1
InChIInChI=1S/C14H9Br3N2O2/c15-10-3-1-8(2-4-10)14(21)19-18-7-9-5-11(16)6-12(17)13(9)20/h1-7,20H,(H,19,21)/b18-7+
InChIKeyQERLWOMVFDBAFP-CNHKJKLMSA-N
XLogP4.44
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.95
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 135569113) is 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is QERLWOMVFDBAFP-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H9Br3N2O2/c15-10-3-1-8(2-4-10)14(21)19-18-7-9-5-11(16)6-12(17)13(9)20/h1-7,20H,(H,19,21)/b18-7+.
What are the key properties of 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 476.95 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135569113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).