N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide

C16H14BrN3O3 — CID 135822220

IUPACN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H14BrN3O3/c1-10-2-5-13(6-3-10)19-15(22)16(23)20-18-9-11-8-12(17)4-7-14(11)21/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKeyYBMYDNUKGRDFCS-GIJQJNRQSA-N
MW376.21 g/mol
LogP2.55
Rot. Bonds3

About N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 135822220) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID135822220
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H14BrN3O3/c1-10-2-5-13(6-3-10)19-15(22)16(23)20-18-9-11-8-12(17)4-7-14(11)21/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKeyYBMYDNUKGRDFCS-GIJQJNRQSA-N
XLogP2.55
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 135438770
2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazino]-N-(2-ethoxyphenyl)-2-oxoacetamide
CID 135439741
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-[(1E)-(5-bromo-2-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)amino]propanohydrazide
CID 46498191
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
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
N-(4-Bromophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135609369
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (CID 135822220) is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is YBMYDNUKGRDFCS-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-10-2-5-13(6-3-10)19-15(22)16(23)20-18-9-11-8-12(17)4-7-14(11)21/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+.
What are the key properties of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 376.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 135822220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).