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

C13H16BrFN2O — CID 114694893

IUPAC5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFN2O/c1-8-12(3-2-6-16-8)17-13(18)10-7-9(14)4-5-11(10)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyJVLGSRBWWVWNRC-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.46
Rot. Bonds2

About 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide

5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 114694893) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID114694893
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFN2O/c1-8-12(3-2-6-16-8)17-13(18)10-7-9(14)4-5-11(10)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyJVLGSRBWWVWNRC-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

2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride
CID 120573474
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride
CID 120574506
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2-bromo-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide
CID 114694983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide (CID 114694893) is 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is JVLGSRBWWVWNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-8-12(3-2-6-16-8)17-13(18)10-7-9(14)4-5-11(10)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
5-bromo-2-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 5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 114694893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).