3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C17H20ClF3N2O2 — CID 94637276

About 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 94637276) has the molecular formula C17H20ClF3N2O2 and a molecular weight of 376.81 g/mol. Its IUPAC name is 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
• PubChem CID: 94637276
• Molecular Formula: C17H20ClF3N2O2
• Molecular Weight: 376.81 g/mol
• Exact Mass: 376.12
• IUPAC Name: 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
• SMILES: O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@H]1C1CCCC1
• InChI: InChI=1S/C17H20ClF3N2O2/c18-13-8-12(17(19,20)21)9-22(16(13)25)10-15(24)23-7-3-6-14(23)11-4-1-2-5-11/h8-9,11,14H,1-7,10H2/t14-/m0/s1
• InChIKey: JROXQTUQNNGCSG-AWEZNQCLSA-N
• XLogP: 3.70
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.81
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?

The IUPAC name of 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 94637276) is 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

What is the SMILES notation for 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?

The canonical SMILES for 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@H]1C1CCCC1.

What is the InChIKey of 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?

The InChIKey is JROXQTUQNNGCSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20ClF3N2O2/c18-13-8-12(17(19,20)21)9-22(16(13)25)10-15(24)23-7-3-6-14(23)11-4-1-2-5-11/h8-9,11,14H,1-7,10H2/t14-/m0/s1.

What are the key properties of 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?

3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 376.81 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 94637276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).