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

C14H12BrN3O2 — CID 135520653

IUPAC2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H12BrN3O2/c15-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)16/h1-8,19H,16H2,(H,18,20)/b17-8+
InChIKeyAKEMLCRHZIXMAJ-CAOOACKPSA-N
MW334.17 g/mol
LogP2.50
Rot. Bonds3

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

2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135520653) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135520653
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H12BrN3O2/c15-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)16/h1-8,19H,16H2,(H,18,20)/b17-8+
InChIKeyAKEMLCRHZIXMAJ-CAOOACKPSA-N
XLogP2.50
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.50
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'}

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Related Compounds

4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
N'-[(E)-(3,5-Dibromo-2-hydroxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135400297
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
N'-(5-bromo-2-hydroxybenzylidene)-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135401367
Benzoic acid, 2-amino-, [1-(2-hydroxyphenyl)ethylidene]hydrazide
CID 334156
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
5-Bromo-2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135419609
N'-(5-bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide
CID 135604313
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 135520653) is 2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is AKEMLCRHZIXMAJ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)16/h1-8,19H,16H2,(H,18,20)/b17-8+.
What are the key properties of 2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 334.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135520653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).