N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide

C13H16BrFN2O — CID 8894683

IUPACN-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O/c14-10-4-5-12(11(15)8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)
InChIKeyPZPBGONEUHRGSB-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.01
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide

N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide (PubChem CID 8894683) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide
PubChem CID8894683
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O/c14-10-4-5-12(11(15)8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)
InChIKeyPZPBGONEUHRGSB-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide (CID 8894683) is N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is PZPBGONEUHRGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-10-4-5-12(11(15)8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide?
N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 315.19 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 8894683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).