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

C20H24F3NO2 — CID 91779384

IUPACN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
InChIInChI=1S/C20H24F3NO2/c21-20(22,23)15-8-4-3-7-13(15)11-16(25)24-18-14-9-10-26-19(14)17(18)12-5-1-2-6-12/h3-4,7-8,12,14,17-19H,1-2,5-6,9-11H2,(H,24,25)/t14-,17+,18+,19-/m0/s1
InChIKeyRFVFVXMXOUKWSW-PIKADFDJSA-N
MW367.41 g/mol
LogP3.96
Rot. Bonds4

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

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 91779384) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID91779384
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
InChIInChI=1S/C20H24F3NO2/c21-20(22,23)15-8-4-3-7-13(15)11-16(25)24-18-14-9-10-26-19(14)17(18)12-5-1-2-6-12/h3-4,7-8,12,14,17-19H,1-2,5-6,9-11H2,(H,24,25)/t14-,17+,18+,19-/m0/s1
InChIKeyRFVFVXMXOUKWSW-PIKADFDJSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 91779384) is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccccc1C(F)(F)F)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1.
What is the InChIKey of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RFVFVXMXOUKWSW-PIKADFDJSA-N. The full InChI is InChI=1S/C20H24F3NO2/c21-20(22,23)15-8-4-3-7-13(15)11-16(25)24-18-14-9-10-26-19(14)17(18)12-5-1-2-6-12/h3-4,7-8,12,14,17-19H,1-2,5-6,9-11H2,(H,24,25)/t14-,17+,18+,19-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91779384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).