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

C23H37BrN2O2 — CID 135842506

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C23H37BrN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(28)26-25-19-20-18-21(24)16-17-22(20)27/h16-19,27H,2-15H2,1H3,(H,26,28)/b25-19+
InChIKeyOTUAWEZVWBWOCD-NCELDCMTSA-N
MW453.47 g/mol
LogP7.09
Rot. Bonds16

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide (PubChem CID 135842506) has the molecular formula C23H37BrN2O2 and a molecular weight of 453.47 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide
PubChem CID135842506
Molecular FormulaC23H37BrN2O2
Molecular Weight453.47 g/mol
Exact Mass452.20
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C23H37BrN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(28)26-25-19-20-18-21(24)16-17-22(20)27/h16-19,27H,2-15H2,1H3,(H,26,28)/b25-19+
InChIKeyOTUAWEZVWBWOCD-NCELDCMTSA-N
XLogP7.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.47
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide 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

N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-ethyl-2-hydroxybutanehydrazide
CID 135479716
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135443041
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
N'-(5-bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide
CID 135604313
N'-(5-Bromo-2-hydroxybenzylidene)acetohydrazide
CID 135627846
Benzylidenehydrazine derivative, 15
CID 42618301
Benzylidenehydrazine derivative, 22
CID 42618307
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 285507
N'-(5-bromo-2-hydroxybenzylidene)-4-hydroxybutanohydrazide
CID 135401375
methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-1-hydrazinecarboxylate
CID 135472862
N'-(5-bromo-2-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 135517170

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide (CID 135842506) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide?
The InChIKey is OTUAWEZVWBWOCD-NCELDCMTSA-N. The full InChI is InChI=1S/C23H37BrN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(28)26-25-19-20-18-21(24)16-17-22(20)27/h16-19,27H,2-15H2,1H3,(H,26,28)/b25-19+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide has a molecular weight of 453.47 g/mol, XLogP of 7.09, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]hexadecanamide is sourced from PubChem (CID 135842506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).