3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide

C15H12Br2N2O2 — CID 137361692

IUPAC3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(O)c(/C=N/NC(=O)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C15H12Br2N2O2/c1-9-2-3-14(20)11(4-9)8-18-19-15(21)10-5-12(16)7-13(17)6-10/h2-8,20H,1H3,(H,19,21)/b18-8+
InChIKeyPWKMBHBJQCXUEQ-QGMBQPNBSA-N
MW412.08 g/mol
LogP3.99
Rot. Bonds3

About 3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide

3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide (PubChem CID 137361692) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
PubChem CID137361692
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC Name3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(O)c(/C=N/NC(=O)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C15H12Br2N2O2/c1-9-2-3-14(20)11(4-9)8-18-19-15(21)10-5-12(16)7-13(17)6-10/h2-8,20H,1H3,(H,19,21)/b18-8+
InChIKeyPWKMBHBJQCXUEQ-QGMBQPNBSA-N
XLogP3.99
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 53.99
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

4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
Nsc204792
CID 135459102
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
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-(trifluoromethyl)benzohydrazide
CID 135433517
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135443041

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide (CID 137361692) is 3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide is Cc1ccc(O)c(/C=N/NC(=O)c2cc(Br)cc(Br)c2)c1.
What is the InChIKey of 3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
The InChIKey is PWKMBHBJQCXUEQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c1-9-2-3-14(20)11(4-9)8-18-19-15(21)10-5-12(16)7-13(17)6-10/h2-8,20H,1H3,(H,19,21)/b18-8+.
What are the key properties of 3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide has a molecular weight of 412.08 g/mol, XLogP of 3.99, 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)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137361692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).