2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

C17H25BrClFN2O2 — CID 119824478

IUPAC2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Oc1ccc(F)cc1Br)C1CCNCC1.Cl
InChIInChI=1S/C17H24BrFN2O2.ClH/c1-3-10-21(14-6-8-20-9-7-14)17(22)12(2)23-16-5-4-13(19)11-15(16)18;/h4-5,11-12,14,20H,3,6-10H2,1-2H3;1H
InChIKeyWDSWVRKXUSIPNO-UHFFFAOYSA-N
MW423.75 g/mol
LogP3.77
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 119824478) has the molecular formula C17H25BrClFN2O2 and a molecular weight of 423.75 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID119824478
Molecular FormulaC17H25BrClFN2O2
Molecular Weight423.75 g/mol
Exact Mass422.08
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Oc1ccc(F)cc1Br)C1CCNCC1.Cl
InChIInChI=1S/C17H24BrFN2O2.ClH/c1-3-10-21(14-6-8-20-9-7-14)17(22)12(2)23-16-5-4-13(19)11-15(16)18;/h4-5,11-12,14,20H,3,6-10H2,1-2H3;1H
InChIKeyWDSWVRKXUSIPNO-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825707
2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 55965679
2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823825
2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 43077898
(2S)-2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 38929220
2-(3-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532235
2-[2-(2-bromo-4-fluorophenoxy)propanoyl-cyclopropylamino]propanoic acid
CID 119203508
2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532550
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
2-(3-fluorophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823341

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 119824478) is 2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)C(C)Oc1ccc(F)cc1Br)C1CCNCC1.Cl.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is WDSWVRKXUSIPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2O2.ClH/c1-3-10-21(14-6-8-20-9-7-14)17(22)12(2)23-16-5-4-13(19)11-15(16)18;/h4-5,11-12,14,20H,3,6-10H2,1-2H3;1H.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 423.75 g/mol, XLogP of 3.77, 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-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119824478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).