N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide

C9H8Br2N2O3 — CID 135867736

IUPACN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C9H8Br2N2O3/c1-4(14)13-12-3-5-2-6(10)9(16)7(11)8(5)15/h2-3,15-16H,1H3,(H,13,14)/b12-3+
InChIKeyULSBJQOZEWDCET-KGVSQERTSA-N
MW351.98 g/mol
LogP2.09
Rot. Bonds2

About N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide

N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135867736) has the molecular formula C9H8Br2N2O3 and a molecular weight of 351.98 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135867736
Molecular FormulaC9H8Br2N2O3
Molecular Weight351.98 g/mol
Exact Mass349.89
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C9H8Br2N2O3/c1-4(14)13-12-3-5-2-6(10)9(16)7(11)8(5)15/h2-3,15-16H,1H3,(H,13,14)/b12-3+
InChIKeyULSBJQOZEWDCET-KGVSQERTSA-N
XLogP2.09
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.98
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-ethyl-2-hydroxybutanehydrazide
CID 135479716
N'-(5-Bromo-2-hydroxybenzylidene)acetohydrazide
CID 135627846
N'-(5-bromo-2,4-dihydroxybenzylidene)-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide
CID 135457583
1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135507635
N-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl]carbamoylcarboxamide
CID 135410307
N'-(2,4-Dihydroxybenzylidene)acetohydrazide
CID 135615765
N'-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579277
Carbohydrazide derivative, 3r
CID 135867738
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 135676088
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-cyanoacetamide
CID 135567720
N'-[(3,5-dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-ethyl-2-hydroxybutanehydrazide
CID 1514076

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135867736) is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide is CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is ULSBJQOZEWDCET-KGVSQERTSA-N. The full InChI is InChI=1S/C9H8Br2N2O3/c1-4(14)13-12-3-5-2-6(10)9(16)7(11)8(5)15/h2-3,15-16H,1H3,(H,13,14)/b12-3+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide?
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 351.98 g/mol, XLogP of 2.09, 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-2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135867736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).