2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide

C16H24BrFN2O2 — CID 47040437

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
SMILESCCN(CC)C(C)CNC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C16H24BrFN2O2/c1-5-20(6-2)11(3)10-19-16(21)12(4)22-15-8-7-13(18)9-14(15)17/h7-9,11-12H,5-6,10H2,1-4H3,(H,19,21)
InChIKeyOSIQLHUNLZDEGR-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.20
Rot. Bonds8

About 2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide (PubChem CID 47040437) has the molecular formula C16H24BrFN2O2 and a molecular weight of 375.28 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
PubChem CID47040437
Molecular FormulaC16H24BrFN2O2
Molecular Weight375.28 g/mol
Exact Mass374.10
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
SMILESCCN(CC)C(C)CNC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C16H24BrFN2O2/c1-5-20(6-2)11(3)10-19-16(21)12(4)22-15-8-7-13(18)9-14(15)17/h7-9,11-12H,5-6,10H2,1-4H3,(H,19,21)
InChIKeyOSIQLHUNLZDEGR-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 47040606
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625
2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 42960788
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-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47041388
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide (CID 47040437) is 2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide is CCN(CC)C(C)CNC(=O)C(C)Oc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide?
The InChIKey is OSIQLHUNLZDEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2O2/c1-5-20(6-2)11(3)10-19-16(21)12(4)22-15-8-7-13(18)9-14(15)17/h7-9,11-12H,5-6,10H2,1-4H3,(H,19,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide has a molecular weight of 375.28 g/mol, XLogP of 3.20, 8 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-(diethylamino)propyl]propanamide is sourced from PubChem (CID 47040437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).