4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide

C13H16BrFN2O — CID 114695015

IUPAC4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2O/c1-8-12(3-2-6-16-8)17-13(18)9-4-5-10(14)11(15)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyXAWWEEVYTRFYAA-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.46
Rot. Bonds2

About 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide

4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 114695015) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID114695015
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2O/c1-8-12(3-2-6-16-8)17-13(18)9-4-5-10(14)11(15)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyXAWWEEVYTRFYAA-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893
4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
CID 64920634
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120576981
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
CID 96519279
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide (CID 114695015) is 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is XAWWEEVYTRFYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-8-12(3-2-6-16-8)17-13(18)9-4-5-10(14)11(15)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 315.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 114695015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).