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

C17H15BrN4O4 — CID 135606590

IUPACN-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H15BrN4O4/c1-10(23)20-13-3-5-14(6-4-13)21-16(25)17(26)22-19-9-11-8-12(18)2-7-15(11)24/h2-9,24H,1H3,(H,20,23)(H,21,25)(H,22,26)/b19-9+
InChIKeyUQIQIWJTXNJXSI-DJKKODMXSA-N
MW419.24 g/mol
LogP2.20
Rot. Bonds4

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

N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135606590) has the molecular formula C17H15BrN4O4 and a molecular weight of 419.24 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135606590
Molecular FormulaC17H15BrN4O4
Molecular Weight419.24 g/mol
Exact Mass418.03
IUPAC NameN-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H15BrN4O4/c1-10(23)20-13-3-5-14(6-4-13)21-16(25)17(26)22-19-9-11-8-12(18)2-7-15(11)24/h2-9,24H,1H3,(H,20,23)(H,21,25)(H,22,26)/b19-9+
InChIKeyUQIQIWJTXNJXSI-DJKKODMXSA-N
XLogP2.20
TPSA119.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.24
LogP ≤ 52.20
H-Bond Donors ≤ 54
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

N-(4-acetamidophenyl)-N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4578192
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide
CID 136909048
ethyl 4-[[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 136911270
N-(4-bromophenyl)-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135554311
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 137129490
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 135615725
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 3863592
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
methyl 4-[[2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240884
N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
CID 3672050
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide (CID 135606590) is N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is UQIQIWJTXNJXSI-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15BrN4O4/c1-10(23)20-13-3-5-14(6-4-13)21-16(25)17(26)22-19-9-11-8-12(18)2-7-15(11)24/h2-9,24H,1H3,(H,20,23)(H,21,25)(H,22,26)/b19-9+.
What are the key properties of N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide?
N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 419.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135606590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).