2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

C14H11Br2N3O2 — CID 135615475

IUPAC2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1c(Br)cc(Br)cc1C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C14H11Br2N3O2/c15-9-5-10(13(17)11(16)6-9)14(21)19-18-7-8-3-1-2-4-12(8)20/h1-7,20H,17H2,(H,19,21)/b18-7+
InChIKeyOZLXBUHZQFWIOF-CNHKJKLMSA-N
MW413.07 g/mol
LogP3.26
Rot. Bonds3

About 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135615475) has the molecular formula C14H11Br2N3O2 and a molecular weight of 413.07 g/mol. Its IUPAC name is 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135615475
Molecular FormulaC14H11Br2N3O2
Molecular Weight413.07 g/mol
Exact Mass410.92
IUPAC Name2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1c(Br)cc(Br)cc1C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C14H11Br2N3O2/c15-9-5-10(13(17)11(16)6-9)14(21)19-18-7-8-3-1-2-4-12(8)20/h1-7,20H,17H2,(H,19,21)/b18-7+
InChIKeyOZLXBUHZQFWIOF-CNHKJKLMSA-N
XLogP3.26
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]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

3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
2-[(2E)-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazino]benzoic acid
CID 135685298
6-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 156018079
3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361940
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455568
3,5-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 137361692
3,5-dibromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 137362065
2,4-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 154588477
3-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 154588488
3(2-Hydroxybenzylideneamino)-6,8-dibromo-2-phenylquinazolin-4(3H)-one
CID 135879385
N-[(E)-(3-bromo-2-hydroxy-phenyl)methyleneamino]benzamide
CID 137100864

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 135615475) is 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is Nc1c(Br)cc(Br)cc1C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is OZLXBUHZQFWIOF-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H11Br2N3O2/c15-9-5-10(13(17)11(16)6-9)14(21)19-18-7-8-3-1-2-4-12(8)20/h1-7,20H,17H2,(H,19,21)/b18-7+.
What are the key properties of 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 413.07 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135615475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).