2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide

C18H23FN2O2 — CID 16546598

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C18H23FN2O2/c1-21(11-17(22)20-16-4-2-3-15(19)10-16)18(23)9-14-8-12-5-6-13(14)7-12/h2-4,10,12-14H,5-9,11H2,1H3,(H,20,22)
InChIKeyDFNMBVSOMLSDNW-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.05
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 16546598) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID16546598
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C18H23FN2O2/c1-21(11-17(22)20-16-4-2-3-15(19)10-16)18(23)9-14-8-12-5-6-13(14)7-12/h2-4,10,12-14H,5-9,11H2,1H3,(H,20,22)
InChIKeyDFNMBVSOMLSDNW-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide (CID 16546598) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is DFNMBVSOMLSDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-21(11-17(22)20-16-4-2-3-15(19)10-16)18(23)9-14-8-12-5-6-13(14)7-12/h2-4,10,12-14H,5-9,11H2,1H3,(H,20,22).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 318.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 16546598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).