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

C10H13BrN2O2 — CID 76915609

IUPAC2-(3-bromophenoxy)-N'-hydroxybutanimidamide
SMILESCCC(Oc1cccc(Br)c1)C(N)=NO
InChIInChI=1S/C10H13BrN2O2/c1-2-9(10(12)13-14)15-8-5-3-4-7(11)6-8/h3-6,9,14H,2H2,1H3,(H2,12,13)
InChIKeyZTAVQCVLTPFNEQ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.35
Rot. Bonds4

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

2-(3-bromophenoxy)-N'-hydroxybutanimidamide (PubChem CID 76915609) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-hydroxybutanimidamide
PubChem CID76915609
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(3-bromophenoxy)-N'-hydroxybutanimidamide
SMILESCCC(Oc1cccc(Br)c1)C(N)=NO
InChIInChI=1S/C10H13BrN2O2/c1-2-9(10(12)13-14)15-8-5-3-4-7(11)6-8/h3-6,9,14H,2H2,1H3,(H2,12,13)
InChIKeyZTAVQCVLTPFNEQ-UHFFFAOYSA-N
XLogP2.35
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide
CID 55060557
2-(3-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 76915790
ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
CID 123956670
N'-hydroxy-2-quinolin-7-yloxybutanimidamide
CID 107313792
2-(3-aminophenoxy)-1-(2,4-dibromophenyl)butan-1-one
CID 46307590
2-(3-aminophenoxy)-1-(2,5-dibromophenyl)butan-1-one
CID 46307594
2-(3-aminophenoxy)butanamide
CID 62901524
2-(3-bromophenoxy)-3-methoxypropanehydrazide
CID 103229217
N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide
CID 76915648
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40810164
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
CID 78773270

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(3-bromophenoxy)-N'-hydroxybutanimidamide (CID 76915609) is 2-(3-bromophenoxy)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-hydroxybutanimidamide is CCC(Oc1cccc(Br)c1)C(N)=NO.
What is the InChIKey of 2-(3-bromophenoxy)-N'-hydroxybutanimidamide?
The InChIKey is ZTAVQCVLTPFNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-9(10(12)13-14)15-8-5-3-4-7(11)6-8/h3-6,9,14H,2H2,1H3,(H2,12,13).
What are the key properties of 2-(3-bromophenoxy)-N'-hydroxybutanimidamide?
2-(3-bromophenoxy)-N'-hydroxybutanimidamide has a molecular weight of 273.13 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76915609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).