N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide

C9H7Br2N3O3 — CID 135503706

IUPACN'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H7Br2N3O3/c10-5-1-4(7(15)6(11)2-5)3-13-14-9(17)8(12)16/h1-3,15H,(H2,12,16)(H,14,17)/b13-3+
InChIKeyWABBLWVJGWELDH-QLKAYGNNSA-N
MW364.98 g/mol
LogP0.85
Rot. Bonds2

About N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide

N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135503706) has the molecular formula C9H7Br2N3O3 and a molecular weight of 364.98 g/mol. Its IUPAC name is N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135503706
Molecular FormulaC9H7Br2N3O3
Molecular Weight364.98 g/mol
Exact Mass362.89
IUPAC NameN'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H7Br2N3O3/c10-5-1-4(7(15)6(11)2-5)3-13-14-9(17)8(12)16/h1-3,15H,(H2,12,16)(H,14,17)/b13-3+
InChIKeyWABBLWVJGWELDH-QLKAYGNNSA-N
XLogP0.85
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.98
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide (CID 135503706) is N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide is NC(=O)C(=O)N/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is WABBLWVJGWELDH-QLKAYGNNSA-N. The full InChI is InChI=1S/C9H7Br2N3O3/c10-5-1-4(7(15)6(11)2-5)3-13-14-9(17)8(12)16/h1-3,15H,(H2,12,16)(H,14,17)/b13-3+.
What are the key properties of N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide?
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 364.98 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135503706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).