4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide

C13H12F3NO3 — CID 115468230

IUPAC4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(OC2CCC(=O)C2)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)10-5-7(12(17)19)1-4-11(10)20-9-3-2-8(18)6-9/h1,4-5,9H,2-3,6H2,(H2,17,19)
InChIKeyZASXPQIYQGVRQY-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.30
Rot. Bonds3

About 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide

4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide (PubChem CID 115468230) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide
PubChem CID115468230
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(OC2CCC(=O)C2)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)10-5-7(12(17)19)1-4-11(10)20-9-3-2-8(18)6-9/h1,4-5,9H,2-3,6H2,(H2,17,19)
InChIKeyZASXPQIYQGVRQY-UHFFFAOYSA-N
XLogP2.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide (CID 115468230) is 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(OC2CCC(=O)C2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide?
The InChIKey is ZASXPQIYQGVRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-13(15,16)10-5-7(12(17)19)1-4-11(10)20-9-3-2-8(18)6-9/h1,4-5,9H,2-3,6H2,(H2,17,19).
What are the key properties of 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide?
4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide has a molecular weight of 287.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 115468230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).