2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

C16H20BrFN2O3 — CID 47041388

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C16H20BrFN2O3/c1-11(23-14-6-5-12(18)9-13(14)17)16(22)19-10-15(21)20-7-3-2-4-8-20/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22)
InChIKeyVORJJWCQHLZVTI-UHFFFAOYSA-N
MW387.25 g/mol
LogP2.48
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (PubChem CID 47041388) has the molecular formula C16H20BrFN2O3 and a molecular weight of 387.25 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
PubChem CID47041388
Molecular FormulaC16H20BrFN2O3
Molecular Weight387.25 g/mol
Exact Mass386.06
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C16H20BrFN2O3/c1-11(23-14-6-5-12(18)9-13(14)17)16(22)19-10-15(21)20-7-3-2-4-8-20/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22)
InChIKeyVORJJWCQHLZVTI-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 47040606
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 51729397
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
(2S)-2-(2-bromo-4-fluorophenoxy)-1-[(3S)-3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 124686246
ethyl 4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]piperidine-1-carboxylate
CID 55562209
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (CID 47041388) is 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is CC(Oc1ccc(F)cc1Br)C(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The InChIKey is VORJJWCQHLZVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O3/c1-11(23-14-6-5-12(18)9-13(14)17)16(22)19-10-15(21)20-7-3-2-4-8-20/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide has a molecular weight of 387.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 47041388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).