5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide

C15H13BrN2O3 — CID 135706744

IUPAC5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccc(O)cc1
InChIInChI=1S/C15H13BrN2O3/c1-9(10-2-5-12(19)6-3-10)17-18-15(21)13-8-11(16)4-7-14(13)20/h2-8,19-20H,1H3,(H,18,21)/b17-9+
InChIKeyQPZKDXXAGZWVFQ-RQZCQDPDSA-N
MW349.18 g/mol
LogP3.01
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide

5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 135706744) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID135706744
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccc(O)cc1
InChIInChI=1S/C15H13BrN2O3/c1-9(10-2-5-12(19)6-3-10)17-18-15(21)13-8-11(16)4-7-14(13)20/h2-8,19-20H,1H3,(H,18,21)/b17-9+
InChIKeyQPZKDXXAGZWVFQ-RQZCQDPDSA-N
XLogP3.01
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
CID 5340622
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325
5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5498486
N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide
CID 56966223
5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107729682
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 4671456
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 135647794
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide (CID 135706744) is 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccc(O)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is QPZKDXXAGZWVFQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9(10-2-5-12(19)6-3-10)17-18-15(21)13-8-11(16)4-7-14(13)20/h2-8,19-20H,1H3,(H,18,21)/b17-9+.
What are the key properties of 5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 349.18 g/mol, XLogP of 3.01, 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)-1-(4-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 135706744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).