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

C14H9Br3N2O2 — CID 137361940

IUPAC3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H9Br3N2O2/c15-10-1-2-13(20)9(5-10)7-18-19-14(21)8-3-11(16)6-12(17)4-8/h1-7,20H,(H,19,21)/b18-7+
InChIKeyFNQDNQPBFHHOOE-CNHKJKLMSA-N
MW476.95 g/mol
LogP4.44
Rot. Bonds3

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

3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137361940) has the molecular formula C14H9Br3N2O2 and a molecular weight of 476.95 g/mol. Its IUPAC name is 3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137361940
Molecular FormulaC14H9Br3N2O2
Molecular Weight476.95 g/mol
Exact Mass473.82
IUPAC Name3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H9Br3N2O2/c15-10-1-2-13(20)9(5-10)7-18-19-14(21)8-3-11(16)6-12(17)4-8/h1-7,20H,(H,19,21)/b18-7+
InChIKeyFNQDNQPBFHHOOE-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

Chel 180
CID 135445765
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
Nsc204792
CID 135459102
2-bromo-N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135460546
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
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
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867737
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 137361940) is 3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(Br)ccc1O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is FNQDNQPBFHHOOE-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H9Br3N2O2/c15-10-1-2-13(20)9(5-10)7-18-19-14(21)8-3-11(16)6-12(17)4-8/h1-7,20H,(H,19,21)/b18-7+.
What are the key properties of 3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
3,5-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 3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137361940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).