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

C16H13Br2N3O3 — CID 135460498

IUPAC4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C16H13Br2N3O3/c1-9(22)20-13-4-2-10(3-5-13)16(24)21-19-8-11-6-12(17)7-14(18)15(11)23/h2-8,23H,1H3,(H,20,22)(H,21,24)/b19-8+
InChIKeyKGTHULDLCTZUMW-UFWORHAWSA-N
MW455.11 g/mol
LogP3.64
Rot. Bonds4

About 4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide

4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135460498) has the molecular formula C16H13Br2N3O3 and a molecular weight of 455.11 g/mol. Its IUPAC name is 4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135460498
Molecular FormulaC16H13Br2N3O3
Molecular Weight455.11 g/mol
Exact Mass452.93
IUPAC Name4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C16H13Br2N3O3/c1-9(22)20-13-4-2-10(3-5-13)16(24)21-19-8-11-6-12(17)7-14(18)15(11)23/h2-8,23H,1H3,(H,20,22)(H,21,24)/b19-8+
InChIKeyKGTHULDLCTZUMW-UFWORHAWSA-N
XLogP3.64
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.11
LogP ≤ 53.64
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
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'-(3,5-dibromo-2-hydroxybenzylidene)-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135403109
N-(4-{[2-(3-bromo-4-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylbenzamide
CID 135433310
N-(4-{[2-(3,5-dibromo-2-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylpropanamide
CID 135460589
(E)-3-(2-(3,5-Dibromo-2-hydroxybenzylidene)hydrazinyl)benzoic acid
CID 135516998
N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 154588483
N'-(5-Bromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 135604310
3-bromo-N-{2-[(2E)-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135439775
N'-(3,5-dibromo-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135478331
3-[(5-bromo-2-hydroxybenzoyl)hydrazono]-2-(hydroxyimino)-N-phenylbutanamide
CID 135504398

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 135460498) is 4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is KGTHULDLCTZUMW-UFWORHAWSA-N. The full InChI is InChI=1S/C16H13Br2N3O3/c1-9(22)20-13-4-2-10(3-5-13)16(24)21-19-8-11-6-12(17)7-14(18)15(11)23/h2-8,23H,1H3,(H,20,22)(H,21,24)/b19-8+.
What are the key properties of 4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 455.11 g/mol, XLogP of 3.64, 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)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135460498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).