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

C9H8BrN3O3 — CID 135410307

IUPACN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C9H8BrN3O3/c10-6-1-2-7(14)5(3-6)4-12-13-9(16)8(11)15/h1-4,14H,(H2,11,15)(H,13,16)/b12-4+
InChIKeyCNAVLHXQDOVEEH-UUILKARUSA-N
MW286.09 g/mol
LogP0.09
Rot. Bonds2

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

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135410307) has the molecular formula C9H8BrN3O3 and a molecular weight of 286.09 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135410307
Molecular FormulaC9H8BrN3O3
Molecular Weight286.09 g/mol
Exact Mass284.97
IUPAC NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C9H8BrN3O3/c10-6-1-2-7(14)5(3-6)4-12-13-9(16)8(11)15/h1-4,14H,(H2,11,15)(H,13,16)/b12-4+
InChIKeyCNAVLHXQDOVEEH-UUILKARUSA-N
XLogP0.09
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 50.09
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

N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-ethyl-2-hydroxybutanehydrazide
CID 135479716
5-Bromo-2-hydroxybenzaldehyde thiosemicarbazone
CID 135409268
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N'-(5-Bromo-2-hydroxybenzylidene)acetohydrazide
CID 135627846
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
N-[(Z)-[(5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methylidene]amino]acetamide
CID 136035724
1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135507635
N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide
CID 243459
N,N'-Bis(salicylideneamino)oxamide
CID 135576411

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide (CID 135410307) is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide is NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is CNAVLHXQDOVEEH-UUILKARUSA-N. The full InChI is InChI=1S/C9H8BrN3O3/c10-6-1-2-7(14)5(3-6)4-12-13-9(16)8(11)15/h1-4,14H,(H2,11,15)(H,13,16)/b12-4+.
What are the key properties of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide?
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 286.09 g/mol, XLogP of 0.09, 2 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]oxamide is sourced from PubChem (CID 135410307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).