2-(5-bromo-2-fluorophenoxy)propanamide

C9H9BrFNO2 — CID 115918546

IUPAC2-(5-bromo-2-fluorophenoxy)propanamide
SMILESCC(Oc1cc(Br)ccc1F)C(N)=O
InChIInChI=1S/C9H9BrFNO2/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H2,12,13)
InChIKeyVOCBMBFNEPEZQE-UHFFFAOYSA-N
MW262.08 g/mol
LogP1.84
Rot. Bonds3

About 2-(5-bromo-2-fluorophenoxy)propanamide

2-(5-bromo-2-fluorophenoxy)propanamide (PubChem CID 115918546) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)propanamide
PubChem CID115918546
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name2-(5-bromo-2-fluorophenoxy)propanamide
SMILESCC(Oc1cc(Br)ccc1F)C(N)=O
InChIInChI=1S/C9H9BrFNO2/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H2,12,13)
InChIKeyVOCBMBFNEPEZQE-UHFFFAOYSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
2-(2,5-difluorophenoxy)propanamide
CID 63269491
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
CID 114674200
2-(2-amino-4-bromophenoxy)propanamide
CID 65429423
3-(5-bromo-2-fluorophenoxy)butan-2-ol
CID 115919572
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)propan-1-one
CID 115918466
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
CID 103483009
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
(2R)-2-(4-bromophenoxy)propanamide
CID 974910

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)propanamide?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)propanamide (CID 115918546) is 2-(5-bromo-2-fluorophenoxy)propanamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)propanamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)propanamide is CC(Oc1cc(Br)ccc1F)C(N)=O.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)propanamide?
The InChIKey is VOCBMBFNEPEZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H2,12,13).
What are the key properties of 2-(5-bromo-2-fluorophenoxy)propanamide?
2-(5-bromo-2-fluorophenoxy)propanamide has a molecular weight of 262.08 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)propanamide is sourced from PubChem (CID 115918546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).