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

C14H9Br3N2O2 — CID 154588477

IUPAC2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H9Br3N2O2/c15-9-2-4-13(20)8(5-9)7-18-19-14(21)11-3-1-10(16)6-12(11)17/h1-7,20H,(H,19,21)/b18-7+
InChIKeyRCODHVYMEHXQED-CNHKJKLMSA-N
MW476.95 g/mol
LogP4.44
Rot. Bonds3

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

2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 154588477) has the molecular formula C14H9Br3N2O2 and a molecular weight of 476.95 g/mol. Its IUPAC name is 2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID154588477
Molecular FormulaC14H9Br3N2O2
Molecular Weight476.95 g/mol
Exact Mass473.82
IUPAC Name2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H9Br3N2O2/c15-9-2-4-13(20)8(5-9)7-18-19-14(21)11-3-1-10(16)6-12(11)17/h1-7,20H,(H,19,21)/b18-7+
InChIKeyRCODHVYMEHXQED-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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Related Compounds

2-bromo-N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135460546
3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135443041
4-bromo-N'-(5-chloro-2-hydroxybenzylidene)benzohydrazide
CID 135498020
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(trifluoromethyl)benzohydrazide
CID 135517032
N'-(5-bromo-2-hydroxybenzylidene)-2-chlorobenzohydrazide
CID 135521406
Salicylaldehyde Benzoyl Hydrazone
CID 135400584
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 154588477) is 2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is RCODHVYMEHXQED-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H9Br3N2O2/c15-9-2-4-13(20)8(5-9)7-18-19-14(21)11-3-1-10(16)6-12(11)17/h1-7,20H,(H,19,21)/b18-7+.
What are the key properties of 2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
2,4-dibromo-N-[(E)-(5-bromo-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 2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 154588477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).