N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide

C10H12Br3N3O — CID 77029373

IUPACN'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide
SMILESCCC(Nc1c(Br)cc(Br)cc1Br)C(N)=NO
InChIInChI=1S/C10H12Br3N3O/c1-2-8(10(14)16-17)15-9-6(12)3-5(11)4-7(9)13/h3-4,8,15,17H,2H2,1H3,(H2,14,16)
InChIKeyCQMIVDQIGFHYGU-UHFFFAOYSA-N
MW429.94 g/mol
LogP3.91
Rot. Bonds4

About N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide

N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide (PubChem CID 77029373) has the molecular formula C10H12Br3N3O and a molecular weight of 429.94 g/mol. Its IUPAC name is N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide
PubChem CID77029373
Molecular FormulaC10H12Br3N3O
Molecular Weight429.94 g/mol
Exact Mass426.85
IUPAC NameN'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide
SMILESCCC(Nc1c(Br)cc(Br)cc1Br)C(N)=NO
InChIInChI=1S/C10H12Br3N3O/c1-2-8(10(14)16-17)15-9-6(12)3-5(11)4-7(9)13/h3-4,8,15,17H,2H2,1H3,(H2,14,16)
InChIKeyCQMIVDQIGFHYGU-UHFFFAOYSA-N
XLogP3.91
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.94
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,6-tribromoanilino)butanoic acid
CID 64668151
2-(3-bromo-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028281
2-(2-bromo-5-methoxyanilino)-N'-hydroxybutanimidamide
CID 77069907
2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide
CID 82820343
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide
CID 114375216
2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide
CID 77025318
N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide
CID 77029269
2-(3-chloroanilino)-N'-hydroxybutanimidamide
CID 77026492
2-(3-ethylanilino)-N'-hydroxybutanimidamide
CID 77027287
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-bromo-5-methylbenzamide
CID 81117216
2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031381

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide?
The IUPAC name of N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide (CID 77029373) is N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide is CCC(Nc1c(Br)cc(Br)cc1Br)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide?
The InChIKey is CQMIVDQIGFHYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br3N3O/c1-2-8(10(14)16-17)15-9-6(12)3-5(11)4-7(9)13/h3-4,8,15,17H,2H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide?
N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide has a molecular weight of 429.94 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide is sourced from PubChem (CID 77029373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).