2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide

C16H22BrFN2O2 — CID 47040606

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C16H22BrFN2O2/c1-11(20-7-3-4-8-20)10-19-16(21)12(2)22-15-6-5-13(18)9-14(15)17/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,21)
InChIKeyZUZQIBBWWZYEMH-UHFFFAOYSA-N
MW373.27 g/mol
LogP2.96
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide

2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 47040606) has the molecular formula C16H22BrFN2O2 and a molecular weight of 373.27 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide
PubChem CID47040606
Molecular FormulaC16H22BrFN2O2
Molecular Weight373.27 g/mol
Exact Mass372.08
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C16H22BrFN2O2/c1-11(20-7-3-4-8-20)10-19-16(21)12(2)22-15-6-5-13(18)9-14(15)17/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,21)
InChIKeyZUZQIBBWWZYEMH-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47041388
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 55685733
2-(2-bromo-4-fluorophenoxy)-N-[(5-bromothiophen-2-yl)methyl]propanamide
CID 55690465
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide (CID 47040606) is 2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide is CC(Oc1ccc(F)cc1Br)C(=O)NCC(C)N1CCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is ZUZQIBBWWZYEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O2/c1-11(20-7-3-4-8-20)10-19-16(21)12(2)22-15-6-5-13(18)9-14(15)17/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 373.27 g/mol, XLogP of 2.96, 6 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-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 47040606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).