N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

C16H19F3N2O — CID 119456983

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)NC1CC2CCC(C1)N2
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)14-4-2-1-3-10(14)7-15(22)21-13-8-11-5-6-12(9-13)20-11/h1-4,11-13,20H,5-9H2,(H,21,22)
InChIKeyJPBIMQFZQHDTFW-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.65
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 119456983) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID119456983
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)NC1CC2CCC(C1)N2
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)14-4-2-1-3-10(14)7-15(22)21-13-8-11-5-6-12(9-13)20-11/h1-4,11-13,20H,5-9H2,(H,21,22)
InChIKeyJPBIMQFZQHDTFW-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (CID 119456983) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccccc1C(F)(F)F)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JPBIMQFZQHDTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c17-16(18,19)14-4-2-1-3-10(14)7-15(22)21-13-8-11-5-6-12(9-13)20-11/h1-4,11-13,20H,5-9H2,(H,21,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119456983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).