2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide

C14H13F4NO2 — CID 80711997

IUPAC2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CC2CCC1O2)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H13F4NO2/c15-10-3-1-7(14(16,17)18)5-9(10)13(20)19-11-6-8-2-4-12(11)21-8/h1,3,5,8,11-12H,2,4,6H2,(H,19,20)
InChIKeyZKUSQOFFVPIEOI-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.89
Rot. Bonds2

About 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide (PubChem CID 80711997) has the molecular formula C14H13F4NO2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide
PubChem CID80711997
Molecular FormulaC14H13F4NO2
Molecular Weight303.25 g/mol
Exact Mass303.09
IUPAC Name2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CC2CCC1O2)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H13F4NO2/c15-10-3-1-7(14(16,17)18)5-9(10)13(20)19-11-6-8-2-4-12(11)21-8/h1,3,5,8,11-12H,2,4,6H2,(H,19,20)
InChIKeyZKUSQOFFVPIEOI-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.89
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
3-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113256587
2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80602019
3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80732424
2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 103760946
2-fluoro-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)benzoic acid
CID 80715061
2-chloro-5-hydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 106502018
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 80602272
2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid
CID 114217845
3-fluoro-4-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80611768
3,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113358348
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 126782233

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide (CID 80711997) is 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide is O=C(NC1CC2CCC1O2)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is ZKUSQOFFVPIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO2/c15-10-3-1-7(14(16,17)18)5-9(10)13(20)19-11-6-8-2-4-12(11)21-8/h1,3,5,8,11-12H,2,4,6H2,(H,19,20).
What are the key properties of 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 303.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 80711997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).