5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide

C11H14BrFN2O2 — CID 54965707

IUPAC5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
SMILESNC(CCCCOc1ccc(Br)cc1F)=NO
InChIInChI=1S/C11H14BrFN2O2/c12-8-4-5-10(9(13)7-8)17-6-2-1-3-11(14)15-16/h4-5,7,16H,1-3,6H2,(H2,14,15)
InChIKeyPRZMXMBSOINJRF-UHFFFAOYSA-N
MW305.15 g/mol
LogP2.88
Rot. Bonds6

About 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide

5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide (PubChem CID 54965707) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
PubChem CID54965707
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
SMILESNC(CCCCOc1ccc(Br)cc1F)=NO
InChIInChI=1S/C11H14BrFN2O2/c12-8-4-5-10(9(13)7-8)17-6-2-1-3-11(14)15-16/h4-5,7,16H,1-3,6H2,(H2,14,15)
InChIKeyPRZMXMBSOINJRF-UHFFFAOYSA-N
XLogP2.88
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711792
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696
5-(2,5-dibromo-4-methoxyphenoxy)-N'-hydroxypentanimidamide
CID 79404299
5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide
CID 109374706
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
CID 24694064
methyl 4-(4-bromo-2-fluorophenoxy)butanoate
CID 43378172
5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide
CID 55068583
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 14677832
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
CID 76992494
4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
CID 24697005

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide (CID 54965707) is 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide is NC(CCCCOc1ccc(Br)cc1F)=NO.
What is the InChIKey of 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide?
The InChIKey is PRZMXMBSOINJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c12-8-4-5-10(9(13)7-8)17-6-2-1-3-11(14)15-16/h4-5,7,16H,1-3,6H2,(H2,14,15).
What are the key properties of 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide?
5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide has a molecular weight of 305.15 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 54965707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).