3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide

C9H10BrFN2O2 — CID 81331314

IUPAC3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide
SMILESN/C(CCOc1cc(F)cc(Br)c1)=N/O
InChIInChI=1S/C9H10BrFN2O2/c10-6-3-7(11)5-8(4-6)15-2-1-9(12)13-14/h3-5,14H,1-2H2,(H2,12,13)
InChIKeyUBKFRWFGKZOGLF-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.10
Rot. Bonds4

About 3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide

3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide (PubChem CID 81331314) has the molecular formula C9H10BrFN2O2 and a molecular weight of 277.09 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide
PubChem CID81331314
Molecular FormulaC9H10BrFN2O2
Molecular Weight277.09 g/mol
Exact Mass275.99
IUPAC Name3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide
SMILESN/C(CCOc1cc(F)cc(Br)c1)=N/O
InChIInChI=1S/C9H10BrFN2O2/c10-6-3-7(11)5-8(4-6)15-2-1-9(12)13-14/h3-5,14H,1-2H2,(H2,12,13)
InChIKeyUBKFRWFGKZOGLF-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

3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
CID 24694064
2-[(3-bromo-5-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 81332303
2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
1-bromo-3-(2-ethylsulfanylethoxy)-5-fluorobenzene
CID 115967756
N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide
CID 81314200
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
CID 76992494
3-[2-(3-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 54971448
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
3-[2-(4-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 94231255
4-[2-(3-bromo-5-fluorophenoxy)ethoxy]benzoic acid
CID 81313770
2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
CID 81331369

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide (CID 81331314) is 3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide is N/C(CCOc1cc(F)cc(Br)c1)=N/O.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide?
The InChIKey is UBKFRWFGKZOGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2/c10-6-3-7(11)5-8(4-6)15-2-1-9(12)13-14/h3-5,14H,1-2H2,(H2,12,13).
What are the key properties of 3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide?
3-(3-bromo-5-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-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 81331314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).