(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide

C15H20BrFN2O2 — CID 124571160

IUPAC(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
SMILESC[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C15H20BrFN2O2/c1-10(21-14-4-3-11(17)9-13(14)16)15(20)19(2)12-5-7-18-8-6-12/h3-4,9-10,12,18H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyLASMKJFIVTXXDG-JTQLQIEISA-N
MW359.24 g/mol
LogP2.57
Rot. Bonds4

About (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide

(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide (PubChem CID 124571160) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
PubChem CID124571160
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
SMILESC[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C15H20BrFN2O2/c1-10(21-14-4-3-11(17)9-13(14)16)15(20)19(2)12-5-7-18-8-6-12/h3-4,9-10,12,18H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyLASMKJFIVTXXDG-JTQLQIEISA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824478
2-[2-(2-bromo-4-fluorophenoxy)propanoyl-cyclopropylamino]propanoic acid
CID 119203508
2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide
CID 112788528
2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 55965679
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide
CID 86944611
(2S)-2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 38929220
2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 43077898
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535504
N-methyl-2-(4-methylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442967
2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111663126
N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119552820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide (CID 124571160) is (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide is C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)C1CCNCC1.
What is the InChIKey of (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is LASMKJFIVTXXDG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-10(21-14-4-3-11(17)9-13(14)16)15(20)19(2)12-5-7-18-8-6-12/h3-4,9-10,12,18H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 359.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 124571160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).