3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide

C14H10Br2N2O2 — CID 154588488

IUPAC3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Br)cc1O)c1cccc(Br)c1
InChIInChI=1S/C14H10Br2N2O2/c15-11-3-1-2-9(6-11)14(20)18-17-8-10-4-5-12(16)7-13(10)19/h1-8,19H,(H,18,20)/b17-8+
InChIKeyWHSMFNQFKBHVSH-CAOOACKPSA-N
MW398.05 g/mol
LogP3.68
Rot. Bonds3

About 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide

3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 154588488) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID154588488
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC Name3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Br)cc1O)c1cccc(Br)c1
InChIInChI=1S/C14H10Br2N2O2/c15-11-3-1-2-9(6-11)14(20)18-17-8-10-4-5-12(16)7-13(10)19/h1-8,19H,(H,18,20)/b17-8+
InChIKeyWHSMFNQFKBHVSH-CAOOACKPSA-N
XLogP3.68
TPSA61.69 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 ≤ 53.68
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
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
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 154588488) is 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(Br)cc1O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is WHSMFNQFKBHVSH-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c15-11-3-1-2-9(6-11)14(20)18-17-8-10-4-5-12(16)7-13(10)19/h1-8,19H,(H,18,20)/b17-8+.
What are the key properties of 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 398.05 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 154588488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).