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

C15H17F3N2O3 — CID 129115583

IUPACN-[4-[(1R,3S,4R)-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+/m1/s1
InChIKeyQMBGYIBIMQUGLK-BZPMIXESSA-N
MW330.31 g/mol
LogP2.01
Rot. Bonds5

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

N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 129115583) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID129115583
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC NameN-[4-[(1R,3S,4R)-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+/m1/s1
InChIKeyQMBGYIBIMQUGLK-BZPMIXESSA-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-[(1R,3S,4R)-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

Related Compounds

US9790230, Example 70
CID 118695965
US9790230, Example 40
CID 118700321
US9790230, Example 59
CID 118700330
US9790230, Example 3
CID 118700339
US9790230, Example 84
CID 118700351
US9790230, Example 90
CID 118700410
US9790230, Example 39
CID 118700448
US9790230, Example 91
CID 118859484
US9790230, Example 66
CID 129115617
US9790230, Example 89
CID 129144668
US9790230, Example 77
CID 139208461
US9790230, Example 78
CID 139208462

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 129115583) is N-[4-[(1R,3S,4R)-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-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-[(1R,3S,4R)-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-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is QMBGYIBIMQUGLK-BZPMIXESSA-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+/m1/s1.
What are the key properties of N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-[(1R,3S,4R)-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-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 129115583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).