N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide

C14H16FNO2 — CID 79882445

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(NC1CC2CCC1C2)c1cc(F)ccc1O
InChIInChI=1S/C14H16FNO2/c15-10-3-4-13(17)11(7-10)14(18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,17H,1-2,5-6H2,(H,16,18)
InChIKeyZDHWJJNIACQUOT-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.45
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide

N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 79882445) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide
PubChem CID79882445
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(NC1CC2CCC1C2)c1cc(F)ccc1O
InChIInChI=1S/C14H16FNO2/c15-10-3-4-13(17)11(7-10)14(18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,17H,1-2,5-6H2,(H,16,18)
InChIKeyZDHWJJNIACQUOT-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide (CID 79882445) is N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide is O=C(NC1CC2CCC1C2)c1cc(F)ccc1O.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is ZDHWJJNIACQUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-10-3-4-13(17)11(7-10)14(18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,17H,1-2,5-6H2,(H,16,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide?
N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 249.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 79882445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).