N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C17H20F3NO2 — CID 91761736

IUPACN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@@H]1[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C17H20F3NO2/c1-2-12-15(13-6-7-23-16(12)13)21-14(22)9-10-4-3-5-11(8-10)17(18,19)20/h3-5,8,12-13,15-16H,2,6-7,9H2,1H3,(H,21,22)/t12-,13+,15-,16-/m1/s1
InChIKeyBLGKBPLODTZBJA-OCVGTWLNSA-N
MW327.35 g/mol
LogP3.18
Rot. Bonds4

About N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 91761736) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID91761736
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@@H]1[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C17H20F3NO2/c1-2-12-15(13-6-7-23-16(12)13)21-14(22)9-10-4-3-5-11(8-10)17(18,19)20/h3-5,8,12-13,15-16H,2,6-7,9H2,1H3,(H,21,22)/t12-,13+,15-,16-/m1/s1
InChIKeyBLGKBPLODTZBJA-OCVGTWLNSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]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-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 91761736) is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is CC[C@@H]1[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BLGKBPLODTZBJA-OCVGTWLNSA-N. The full InChI is InChI=1S/C17H20F3NO2/c1-2-12-15(13-6-7-23-16(12)13)21-14(22)9-10-4-3-5-11(8-10)17(18,19)20/h3-5,8,12-13,15-16H,2,6-7,9H2,1H3,(H,21,22)/t12-,13+,15-,16-/m1/s1.
What are the key properties of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 327.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91761736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).