3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide

C11H14BrFN2O2 — CID 43368616

IUPAC3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O2/c1-2-8(6-11(14)15-16)17-10-4-3-7(13)5-9(10)12/h3-5,8,16H,2,6H2,1H3,(H2,14,15)
InChIKeyDIRDQWNXVQPTHS-UHFFFAOYSA-N
MW305.15 g/mol
LogP2.88
Rot. Bonds5

About 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide

3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide (PubChem CID 43368616) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide
PubChem CID43368616
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O2/c1-2-8(6-11(14)15-16)17-10-4-3-7(13)5-9(10)12/h3-5,8,16H,2,6H2,1H3,(H2,14,15)
InChIKeyDIRDQWNXVQPTHS-UHFFFAOYSA-N
XLogP2.88
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 52.88
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

3-(2-bromo-4-fluorophenoxy)pentanethioamide
CID 43368657
3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide
CID 43368320
2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide
CID 24705176
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
CID 24694064
3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide
CID 43175295
N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide
CID 43175259
3-(2-bromo-4-methylphenoxy)pentanethioamide
CID 43368801
3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
CID 43804670
N'-hydroxy-3-phenoxypentanimidamide
CID 43368248
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
CID 102111957
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83045564

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide (CID 43368616) is 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)Oc1ccc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide?
The InChIKey is DIRDQWNXVQPTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-2-8(6-11(14)15-16)17-10-4-3-7(13)5-9(10)12/h3-5,8,16H,2,6H2,1H3,(H2,14,15).
What are the key properties of 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide?
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide has a molecular weight of 305.15 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 43368616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).