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

C9H10BrFN2O2 — CID 24694064

IUPAC3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
SMILESN/C(CCOc1ccc(F)cc1Br)=N\O
InChIInChI=1S/C9H10BrFN2O2/c10-7-5-6(11)1-2-8(7)15-4-3-9(12)13-14/h1-2,5,14H,3-4H2,(H2,12,13)
InChIKeyNDRUXBQKZQEQOY-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.10
Rot. Bonds4

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

3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide (PubChem CID 24694064) has the molecular formula C9H10BrFN2O2 and a molecular weight of 277.09 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
PubChem CID24694064
Molecular FormulaC9H10BrFN2O2
Molecular Weight277.09 g/mol
Exact Mass275.99
IUPAC Name3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
SMILESN/C(CCOc1ccc(F)cc1Br)=N\O
InChIInChI=1S/C9H10BrFN2O2/c10-7-5-6(11)1-2-8(7)15-4-3-9(12)13-14/h1-2,5,14H,3-4H2,(H2,12,13)
InChIKeyNDRUXBQKZQEQOY-UHFFFAOYSA-N
XLogP2.10
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.10
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-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide
CID 24705176
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
CID 76992494
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
2-bromo-4-fluoro-1-(3-methylbut-3-enoxy)benzene
CID 114472657
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
4-(2-bromo-4-fluorophenoxy)butan-2-one
CID 60666649
5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
CID 54965707
2-(2,4-dibromophenoxy)-N'-hydroxyethanimidamide
CID 76874127
3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide
CID 81331314
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide
CID 43368616
3-(2-bromo-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77029787
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide (CID 24694064) is 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide is N/C(CCOc1ccc(F)cc1Br)=N\O.
What is the InChIKey of 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide?
The InChIKey is NDRUXBQKZQEQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2/c10-7-5-6(11)1-2-8(7)15-4-3-9(12)13-14/h1-2,5,14H,3-4H2,(H2,12,13).
What are the key properties of 3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide?
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide has a molecular weight of 277.09 g/mol, XLogP of 2.10, 4 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'-hydroxypropanimidamide is sourced from PubChem (CID 24694064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).