N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

C15H17F3N2O3 — CID 129115617

IUPACN-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)8-22-7-13(21)20-10-3-1-9(2-4-10)14-12-5-11(23-14)6-19-12/h1-4,11-12,14,19H,5-8H2,(H,20,21)/t11-,12-,14+/m0/s1
InChIKeyQMBGYIBIMQUGLK-SGMGOOAPSA-N
MW330.31 g/mol
LogP2.01
Rot. Bonds5

About N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 129115617) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID129115617
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC NameN-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)8-22-7-13(21)20-10-3-1-9(2-4-10)14-12-5-11(23-14)6-19-12/h1-4,11-12,14,19H,5-8H2,(H,20,21)/t11-,12-,14+/m0/s1
InChIKeyQMBGYIBIMQUGLK-SGMGOOAPSA-N
XLogP2.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 129115617) is N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1.
What is the InChIKey of N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is QMBGYIBIMQUGLK-SGMGOOAPSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-15(17,18)8-22-7-13(21)20-10-3-1-9(2-4-10)14-12-5-11(23-14)6-19-12/h1-4,11-12,14,19H,5-8H2,(H,20,21)/t11-,12-,14+/m0/s1.
What are the key properties of N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 330.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 129115617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).