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

C16H14BrN3O3 — CID 135559957

IUPAC4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H14BrN3O3/c1-10(21)19-14-5-2-11(3-6-14)16(23)20-18-9-12-8-13(17)4-7-15(12)22/h2-9,22H,1H3,(H,19,21)(H,20,23)/b18-9+
InChIKeyTVOOSQBQUHYYOC-GIJQJNRQSA-N
MW376.21 g/mol
LogP2.88
Rot. Bonds4

About 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide

4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135559957) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135559957
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H14BrN3O3/c1-10(21)19-14-5-2-11(3-6-14)16(23)20-18-9-12-8-13(17)4-7-15(12)22/h2-9,22H,1H3,(H,19,21)(H,20,23)/b18-9+
InChIKeyTVOOSQBQUHYYOC-GIJQJNRQSA-N
XLogP2.88
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.88
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

N'-[(E)-(3,5-Dibromo-2-hydroxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135400297
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
N'-(5-bromo-2-hydroxybenzylidene)-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135401367
N'1-(3,5-dibromo-2-hydroxybenzylidene)-4-(dimethylamino)benzene-1-carbohydrazide
CID 135520577
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135403109
N-(4-{[2-(5-bromo-2,4-dimethoxybenzylidene)hydrazino]carbonyl}phenyl)propanamide
CID 6875645
2-bromo-N-(4-{[2-(2-methoxybenzylidene)hydrazino]carbonyl}phenyl)benzamide
CID 6876667
N-{2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135401388
N-(4-{[2-(3-bromo-4-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylbenzamide
CID 135433310
4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135460498
N-(4-{[2-(3,5-dibromo-2-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylpropanamide
CID 135460589

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 135559957) is 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is TVOOSQBQUHYYOC-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-10(21)19-14-5-2-11(3-6-14)16(23)20-18-9-12-8-13(17)4-7-15(12)22/h2-9,22H,1H3,(H,19,21)(H,20,23)/b18-9+.
What are the key properties of 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 376.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135559957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).