(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide

C15H20BrFN2O — CID 9444011

IUPAC(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H20BrFN2O/c1-10-5-7-19(8-6-10)11(2)15(20)18-14-4-3-12(16)9-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyLPRGIKRYSXGRNY-LLVKDONJSA-N
MW343.24 g/mol
LogP3.65
Rot. Bonds3

About (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide

(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide (PubChem CID 9444011) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
PubChem CID9444011
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H20BrFN2O/c1-10-5-7-19(8-6-10)11(2)15(20)18-14-4-3-12(16)9-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyLPRGIKRYSXGRNY-LLVKDONJSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
2-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 18078449
4-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 55682508
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
CID 63622745
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-(4-bromo-2-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46631128
(2S)-N-(4-bromo-2-fluorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 30735387
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 46562896
N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide (CID 9444011) is (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide is CC1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2F)CC1.
What is the InChIKey of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is LPRGIKRYSXGRNY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-10-5-7-19(8-6-10)11(2)15(20)18-14-4-3-12(16)9-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 343.24 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 9444011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).