N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide

C16H19F2NO2 — CID 60599057

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide
SMILESCC(NC(=O)c1c(O)cc(F)cc1F)C1CC2CCC1C2
InChIInChI=1S/C16H19F2NO2/c1-8(12-5-9-2-3-10(12)4-9)19-16(21)15-13(18)6-11(17)7-14(15)20/h6-10,12,20H,2-5H2,1H3,(H,19,21)
InChIKeyOJOLPZUWNRRWGB-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.22
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide (PubChem CID 60599057) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide
PubChem CID60599057
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide
SMILESCC(NC(=O)c1c(O)cc(F)cc1F)C1CC2CCC1C2
InChIInChI=1S/C16H19F2NO2/c1-8(12-5-9-2-3-10(12)4-9)19-16(21)15-13(18)6-11(17)7-14(15)20/h6-10,12,20H,2-5H2,1H3,(H,19,21)
InChIKeyOJOLPZUWNRRWGB-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide (CID 60599057) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide is CC(NC(=O)c1c(O)cc(F)cc1F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide?
The InChIKey is OJOLPZUWNRRWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-8(12-5-9-2-3-10(12)4-9)19-16(21)15-13(18)6-11(17)7-14(15)20/h6-10,12,20H,2-5H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide has a molecular weight of 295.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluoro-6-hydroxybenzamide is sourced from PubChem (CID 60599057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).