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

C17H20ClF3N2O2 — CID 94637276

IUPAC3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@H]1C1CCCC1
InChIInChI=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
InChIKeyJROXQTUQNNGCSG-AWEZNQCLSA-N
MW376.81 g/mol
LogP3.70
Rot. Bonds3

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 Name3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID94637276
Molecular FormulaC17H20ClF3N2O2
Molecular Weight376.81 g/mol
Exact Mass376.12
IUPAC Name3-chloro-1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@H]1C1CCCC1
InChIInChI=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
InChIKeyJROXQTUQNNGCSG-AWEZNQCLSA-N
XLogP3.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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).