N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride

C13H17BrClFN2O — CID 119673443

IUPACN-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCNCC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O.ClH/c14-10-1-2-12(11(15)8-10)17-13(18)7-9-3-5-16-6-4-9;/h1-2,8-9,16H,3-7H2,(H,17,18);1H
InChIKeyNHHFEYGSVWTFHT-UHFFFAOYSA-N
MW351.65 g/mol
LogP3.34
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride

N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119673443) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID119673443
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCNCC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O.ClH/c14-10-1-2-12(11(15)8-10)17-13(18)7-9-3-5-16-6-4-9;/h1-2,8-9,16H,3-7H2,(H,17,18);1H
InChIKeyNHHFEYGSVWTFHT-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 63188094
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607565
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
CID 81494966
N-(2-bromo-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 82757301
2-(azetidin-3-ylmethylsulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 66289258
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride (CID 119673443) is N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride is Cl.O=C(CC1CCNCC1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is NHHFEYGSVWTFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O.ClH/c14-10-1-2-12(11(15)8-10)17-13(18)7-9-3-5-16-6-4-9;/h1-2,8-9,16H,3-7H2,(H,17,18);1H.
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride?
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 351.65 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119673443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).