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

C14H9Br3N2O3 — CID 135579623

IUPAC3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccc(Br)c1
InChIInChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+
InChIKeyVOWXAXNVAGLOGM-NGYBGAFCSA-N
MW492.95 g/mol
LogP4.15
Rot. Bonds3

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

3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 135579623) has the molecular formula C14H9Br3N2O3 and a molecular weight of 492.95 g/mol. Its IUPAC name is 3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID135579623
Molecular FormulaC14H9Br3N2O3
Molecular Weight492.95 g/mol
Exact Mass489.82
IUPAC Name3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccc(Br)c1
InChIInChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+
InChIKeyVOWXAXNVAGLOGM-NGYBGAFCSA-N
XLogP4.15
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.95
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579320
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
CID 135579518
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
CID 135867735
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867737
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
Fto-IN-13
CID 135641258
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135443041
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(trifluoromethyl)benzohydrazide
CID 135517032
4-bromo-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 137289960
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 135579623) is 3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is VOWXAXNVAGLOGM-NGYBGAFCSA-N. The full InChI is InChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+.
What are the key properties of 3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 492.95 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135579623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).