5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

C14H11BrN2O3 — CID 135419609

IUPAC5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(Br)ccc1O
InChIInChI=1S/C14H11BrN2O3/c15-10-5-6-13(19)11(7-10)14(20)17-16-8-9-3-1-2-4-12(9)18/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyMULGUYWFAXVEDZ-LZYBPNLTSA-N
MW335.16 g/mol
LogP2.62
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135419609) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135419609
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(Br)ccc1O
InChIInChI=1S/C14H11BrN2O3/c15-10-5-6-13(19)11(7-10)14(20)17-16-8-9-3-1-2-4-12(9)18/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyMULGUYWFAXVEDZ-LZYBPNLTSA-N
XLogP2.62
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
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
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
Nsc204792
CID 135459102
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
3-Bromo-benzoic acid N'-(2-hydroxy-benzoyl)-hydrazide
CID 393333

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 135419609) is 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is MULGUYWFAXVEDZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-10-5-6-13(19)11(7-10)14(20)17-16-8-9-3-1-2-4-12(9)18/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 335.16 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135419609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).