3-(2-bromoanilino)-N'-hydroxybutanimidamide

C10H14BrN3O — CID 77026721

IUPAC3-(2-bromoanilino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)Nc1ccccc1Br
InChIInChI=1S/C10H14BrN3O/c1-7(6-10(12)14-15)13-9-5-3-2-4-8(9)11/h2-5,7,13,15H,6H2,1H3,(H2,12,14)
InChIKeyZKHPDJXFFDRCSL-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.39
Rot. Bonds4

About 3-(2-bromoanilino)-N'-hydroxybutanimidamide

3-(2-bromoanilino)-N'-hydroxybutanimidamide (PubChem CID 77026721) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 3-(2-bromoanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(2-bromoanilino)-N'-hydroxybutanimidamide
PubChem CID77026721
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name3-(2-bromoanilino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)Nc1ccccc1Br
InChIInChI=1S/C10H14BrN3O/c1-7(6-10(12)14-15)13-9-5-3-2-4-8(9)11/h2-5,7,13,15H,6H2,1H3,(H2,12,14)
InChIKeyZKHPDJXFFDRCSL-UHFFFAOYSA-N
XLogP2.39
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.39
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

3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356
3-(5-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77029430
3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide
CID 104724441
3-(5-bromo-4-fluoro-2-methylanilino)-N'-hydroxybutanimidamide
CID 107592821
3-[4-bromo-2-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77027358
2-bromo-N-butan-2-ylaniline
CID 43194515
3-(4-chloro-2-fluoroanilino)-N'-hydroxybutanimidamide
CID 77030728
3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028768
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
3-(2-bromoanilino)-2-methylbutan-2-ol
CID 65332677
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
CID 114081198
3-[3-bromo-2-(hydroxymethyl)anilino]butanamide
CID 115929266

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(2-bromoanilino)-N'-hydroxybutanimidamide (CID 77026721) is 3-(2-bromoanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(2-bromoanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(2-bromoanilino)-N'-hydroxybutanimidamide is CC(CC(N)=NO)Nc1ccccc1Br.
What is the InChIKey of 3-(2-bromoanilino)-N'-hydroxybutanimidamide?
The InChIKey is ZKHPDJXFFDRCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7(6-10(12)14-15)13-9-5-3-2-4-8(9)11/h2-5,7,13,15H,6H2,1H3,(H2,12,14).
What are the key properties of 3-(2-bromoanilino)-N'-hydroxybutanimidamide?
3-(2-bromoanilino)-N'-hydroxybutanimidamide has a molecular weight of 272.15 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77026721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).