(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

C17H13ClF3NO2 — CID 70821754

IUPAC(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF3NO2/c18-12-4-6-13(7-5-12)22-15(8-9-16(22)23)11-2-1-3-14(10-11)24-17(19,20)21/h1-7,10,15H,8-9H2/t15-/m1/s1
InChIKeyJKAMGPKJUNPVCR-OAHLLOKOSA-N
MW355.74 g/mol
LogP5.11
Rot. Bonds3

About (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (PubChem CID 70821754) has the molecular formula C17H13ClF3NO2 and a molecular weight of 355.74 g/mol. Its IUPAC name is (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
PubChem CID70821754
Molecular FormulaC17H13ClF3NO2
Molecular Weight355.74 g/mol
Exact Mass355.06
IUPAC Name(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF3NO2/c18-12-4-6-13(7-5-12)22-15(8-9-16(22)23)11-2-1-3-14(10-11)24-17(19,20)21/h1-7,10,15H,8-9H2/t15-/m1/s1
InChIKeyJKAMGPKJUNPVCR-OAHLLOKOSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.74
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one 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 (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (CID 70821754) is (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is O=C1CC[C@H](c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is JKAMGPKJUNPVCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13ClF3NO2/c18-12-4-6-13(7-5-12)22-15(8-9-16(22)23)11-2-1-3-14(10-11)24-17(19,20)21/h1-7,10,15H,8-9H2/t15-/m1/s1.
What are the key properties of (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 355.74 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 70821754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).