5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide

C12H12BrFN2O2 — CID 55210131

IUPAC5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2cc(Br)ccc2F)CN1
InChIInChI=1S/C12H12BrFN2O2/c13-7-1-3-10(14)9(5-7)12(18)16-8-2-4-11(17)15-6-8/h1,3,5,8H,2,4,6H2,(H,15,17)(H,16,18)
InChIKeyHPBBWHLWDZFYBL-UHFFFAOYSA-N
MW315.14 g/mol
LogP1.60
Rot. Bonds2

About 5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide

5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 55210131) has the molecular formula C12H12BrFN2O2 and a molecular weight of 315.14 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID55210131
Molecular FormulaC12H12BrFN2O2
Molecular Weight315.14 g/mol
Exact Mass314.01
IUPAC Name5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2cc(Br)ccc2F)CN1
InChIInChI=1S/C12H12BrFN2O2/c13-7-1-3-10(14)9(5-7)12(18)16-8-2-4-11(17)15-6-8/h1,3,5,8H,2,4,6H2,(H,15,17)(H,16,18)
InChIKeyHPBBWHLWDZFYBL-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
5-bromo-2-(ethylamino)-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 63662359
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62898689
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 63662158
2-oxo-N-(6-oxopiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 60616083

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide (CID 55210131) is 5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide is O=C1CCC(NC(=O)c2cc(Br)ccc2F)CN1.
What is the InChIKey of 5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is HPBBWHLWDZFYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2/c13-7-1-3-10(14)9(5-7)12(18)16-8-2-4-11(17)15-6-8/h1,3,5,8H,2,4,6H2,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide?
5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 315.14 g/mol, XLogP of 1.60, 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-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 55210131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).