2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide

C13H13BrFNO2 — CID 80602019

IUPAC2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESO=C(NC1CC2CCC1O2)c1ccc(F)cc1Br
InChIInChI=1S/C13H13BrFNO2/c14-10-5-7(15)1-3-9(10)13(17)16-11-6-8-2-4-12(11)18-8/h1,3,5,8,11-12H,2,4,6H2,(H,16,17)
InChIKeyHDERSQHVUOWUKJ-UHFFFAOYSA-N
MW314.15 g/mol
LogP2.64
Rot. Bonds2

About 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide

2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (PubChem CID 80602019) has the molecular formula C13H13BrFNO2 and a molecular weight of 314.15 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
PubChem CID80602019
Molecular FormulaC13H13BrFNO2
Molecular Weight314.15 g/mol
Exact Mass313.01
IUPAC Name2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESO=C(NC1CC2CCC1O2)c1ccc(F)cc1Br
InChIInChI=1S/C13H13BrFNO2/c14-10-5-7(15)1-3-9(10)13(17)16-11-6-8-2-4-12(11)18-8/h1,3,5,8,11-12H,2,4,6H2,(H,16,17)
InChIKeyHDERSQHVUOWUKJ-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112702474
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716084
3-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113256587
2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 103760946
2-bromo-5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80609434
2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide
CID 80711997
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-chloro-5-hydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 106502018
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80732424
2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide
CID 64922806

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (CID 80602019) is 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is O=C(NC1CC2CCC1O2)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The InChIKey is HDERSQHVUOWUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO2/c14-10-5-7(15)1-3-9(10)13(17)16-11-6-8-2-4-12(11)18-8/h1,3,5,8,11-12H,2,4,6H2,(H,16,17).
What are the key properties of 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide has a molecular weight of 314.15 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is sourced from PubChem (CID 80602019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).