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

C16H14BrN3O4 — CID 135752102

IUPACN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H14BrN3O4/c1-24-13-5-3-12(4-6-13)19-15(22)16(23)20-18-9-10-8-11(17)2-7-14(10)21/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKeyUHTYQHUJFJZVSR-GIJQJNRQSA-N
MW392.21 g/mol
LogP2.25
Rot. Bonds4

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

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide (PubChem CID 135752102) has the molecular formula C16H14BrN3O4 and a molecular weight of 392.21 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
PubChem CID135752102
Molecular FormulaC16H14BrN3O4
Molecular Weight392.21 g/mol
Exact Mass391.02
IUPAC NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H14BrN3O4/c1-24-13-5-3-12(4-6-13)19-15(22)16(23)20-18-9-10-8-11(17)2-7-14(10)21/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKeyUHTYQHUJFJZVSR-GIJQJNRQSA-N
XLogP2.25
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(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
N'-{2-[(3-bromobenzyl)oxy]benzylidene}-2-(2-toluidino)propanohydrazide
CID 9620252
N'-{2-[(4-bromobenzyl)oxy]benzylidene}-2-(4-methoxyanilino)propanohydrazide
CID 9654062
N'-[(1E)-(5-bromo-2-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)amino]propanohydrazide
CID 46498191
2-(4-Ethoxyanilino)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135560009
2-(2-(2,5-Dimethoxybenzylidene)hydrazino)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5340828
N-[(E)-[2-(3-bromobenzyl)oxybenzylidene]amino]-2-(p-anisidino)propionamide
CID 56642833
N-(4-Methoxyphenyl)-2-(2-(4-methylbenzylidene)hydrazino)-2-oxoacetamide
CID 5334239
N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide
CID 5334590
N-(4-bromophenyl)-N'-[(E)-(4-methoxyphenyl)methylideneamino]oxamide
CID 5334627
N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 5334782

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide (CID 135752102) is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide is COc1ccc(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-methoxyphenyl)oxamide?
The InChIKey is UHTYQHUJFJZVSR-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14BrN3O4/c1-24-13-5-3-12(4-6-13)19-15(22)16(23)20-18-9-10-8-11(17)2-7-14(10)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-methoxyphenyl)oxamide?
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide has a molecular weight of 392.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 135752102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).