1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one

C25H24ClNO2 — CID 59551993

IUPAC1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccccc1)[C@@H](OCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClNO2/c26-22-15-13-21(14-16-22)25(29-18-19-8-3-1-4-9-19)24(20-10-5-2-6-11-20)27-17-7-12-23(27)28/h1-6,8-11,13-16,24-25H,7,12,17-18H2/t24-,25+/m1/s1
InChIKeyHBUQSMYODPXOQN-RPBOFIJWSA-N
MW405.93 g/mol
LogP5.96
Rot. Bonds7

About 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one

1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one (PubChem CID 59551993) has the molecular formula C25H24ClNO2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
PubChem CID59551993
Molecular FormulaC25H24ClNO2
Molecular Weight405.93 g/mol
Exact Mass405.15
IUPAC Name1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccccc1)[C@@H](OCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClNO2/c26-22-15-13-21(14-16-22)25(29-18-19-8-3-1-4-9-19)24(20-10-5-2-6-11-20)27-17-7-12-23(27)28/h1-6,8-11,13-16,24-25H,7,12,17-18H2/t24-,25+/m1/s1
InChIKeyHBUQSMYODPXOQN-RPBOFIJWSA-N
XLogP5.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]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 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one (CID 59551993) is 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one is O=C1CCCN1[C@H](c1ccccc1)[C@@H](OCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one?
The InChIKey is HBUQSMYODPXOQN-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H24ClNO2/c26-22-15-13-21(14-16-22)25(29-18-19-8-3-1-4-9-19)24(20-10-5-2-6-11-20)27-17-7-12-23(27)28/h1-6,8-11,13-16,24-25H,7,12,17-18H2/t24-,25+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one?
1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one has a molecular weight of 405.93 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 59551993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).