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

C14H10Br2N2O2 — CID 139049850

IUPAC4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C14H10Br2N2O2/c15-10-5-9(13(19)12(16)6-10)7-18-11-3-1-8(2-4-11)14(17)20/h1-7,19H,(H2,17,20)/b18-7+
InChIKeyUQCWRPSLJCAZBJ-CNHKJKLMSA-N
MW398.05 g/mol
LogP3.77
Rot. Bonds3

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

4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 139049850) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID139049850
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC Name4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C14H10Br2N2O2/c15-10-5-9(13(19)12(16)6-10)7-18-11-3-1-8(2-4-11)14(17)20/h1-7,19H,(H2,17,20)/b18-7+
InChIKeyUQCWRPSLJCAZBJ-CNHKJKLMSA-N
XLogP3.77
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.05
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(3,5-Dibromo-2-hydroxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135400297
N'1-(3,5-dibromo-2-hydroxybenzylidene)-4-(dimethylamino)benzene-1-carbohydrazide
CID 135520577
3-[(3,5-Dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-methylbenzoic acid
CID 3610881
4-((5-Bromo-2-hydroxy-benzylidene)-amino)-benzoic acid
CID 768152
4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135460498
N-(4-{[2-(3,5-dibromo-2-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylpropanamide
CID 135460589
2-[(2E)-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazino]benzoic acid
CID 135685298
(E)-3-(2-(3,5-Dibromo-2-hydroxybenzylidene)hydrazinyl)benzoic acid
CID 135516998
N'-(5-Bromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 135604310
3-{[(1E)-(3,5-dibromo-2-hydroxyphenyl)methylene]amino}-4-methylbenzoic acid
CID 4220651
4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135559957
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455568

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 139049850) is 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide is NC(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is UQCWRPSLJCAZBJ-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c15-10-5-9(13(19)12(16)6-10)7-18-11-3-1-8(2-4-11)14(17)20/h1-7,19H,(H2,17,20)/b18-7+.
What are the key properties of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 398.05 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 139049850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).