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

C14H16FNO2 — CID 112702474

IUPAC4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H16FNO2/c1-8-6-9(15)2-4-11(8)14(17)16-12-7-10-3-5-13(12)18-10/h2,4,6,10,12-13H,3,5,7H2,1H3,(H,16,17)
InChIKeyJQUOVLQXQJARIP-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.18
Rot. Bonds2

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

4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (PubChem CID 112702474) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
PubChem CID112702474
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H16FNO2/c1-8-6-9(15)2-4-11(8)14(17)16-12-7-10-3-5-13(12)18-10/h2,4,6,10,12-13H,3,5,7H2,1H3,(H,16,17)
InChIKeyJQUOVLQXQJARIP-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80602019
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716084
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698
2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 103760946
2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)benzamide
CID 80711997
3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80732424
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 126782233
3-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113256587
2-chloro-5-hydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 106502018
4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide
CID 80611769
3,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113358348
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 4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (CID 112702474) is 4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is Cc1cc(F)ccc1C(=O)NC1CC2CCC1O2.
What is the InChIKey of 4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The InChIKey is JQUOVLQXQJARIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-8-6-9(15)2-4-11(8)14(17)16-12-7-10-3-5-13(12)18-10/h2,4,6,10,12-13H,3,5,7H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide has a molecular weight of 249.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is sourced from PubChem (CID 112702474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).