3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide

C14H17FN2O2 — CID 80732424

IUPAC3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H17FN2O2/c1-16-13-9(3-2-4-10(13)15)14(18)17-11-7-8-5-6-12(11)19-8/h2-4,8,11-12,16H,5-7H2,1H3,(H,17,18)
InChIKeyCYARXBUAIRFNPT-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.92
Rot. Bonds3

About 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide

3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (PubChem CID 80732424) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
PubChem CID80732424
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H17FN2O2/c1-16-13-9(3-2-4-10(13)15)14(18)17-11-7-8-5-6-12(11)19-8/h2-4,8,11-12,16H,5-7H2,1H3,(H,17,18)
InChIKeyCYARXBUAIRFNPT-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112702474
N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
CID 114505924
2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide
CID 80711997
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 126782233
2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 103760946
2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80602019
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)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558804
3-chloro-2-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80611760
3-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113256587
2-[3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-2-yl]acetic acid
CID 114217845

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (CID 80732424) is 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is CNc1c(F)cccc1C(=O)NC1CC2CCC1O2.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The InChIKey is CYARXBUAIRFNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-16-13-9(3-2-4-10(13)15)14(18)17-11-7-8-5-6-12(11)19-8/h2-4,8,11-12,16H,5-7H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide has a molecular weight of 264.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is sourced from PubChem (CID 80732424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).