2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide

C14H18BrFN2O — CID 115736933

IUPAC2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)C1CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-9(10-4-3-7-17-8-10)18-14(19)13-11(15)5-2-6-12(13)16/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyBDBBZEKPEDFEDD-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.71
Rot. Bonds3

About 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide

2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide (PubChem CID 115736933) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
PubChem CID115736933
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)C1CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-9(10-4-3-7-17-8-10)18-14(19)13-11(15)5-2-6-12(13)16/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyBDBBZEKPEDFEDD-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
CID 114884744
5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 62046369
2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113342855
7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 62046555
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046898
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
N-(1-piperidin-3-ylethyl)naphthalene-1-carboxamide
CID 43523096

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide (CID 115736933) is 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide is CC(NC(=O)c1c(F)cccc1Br)C1CCCNC1.
What is the InChIKey of 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide?
The InChIKey is BDBBZEKPEDFEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-9(10-4-3-7-17-8-10)18-14(19)13-11(15)5-2-6-12(13)16/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19).
What are the key properties of 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide?
2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide has a molecular weight of 329.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 115736933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).