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

C25H24FNO2 — CID 59552072

IUPAC1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](c1ccccc1)[C@@H](OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H24FNO2/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-/m0/s1
InChIKeyLUBDMQRJDDYNNQ-DQEYMECFSA-N
MW389.47 g/mol
LogP5.45
Rot. Bonds7

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

1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one (PubChem CID 59552072) has the molecular formula C25H24FNO2 and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
PubChem CID59552072
Molecular FormulaC25H24FNO2
Molecular Weight389.47 g/mol
Exact Mass389.18
IUPAC Name1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](c1ccccc1)[C@@H](OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H24FNO2/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-/m0/s1
InChIKeyLUBDMQRJDDYNNQ-DQEYMECFSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one (CID 59552072) is 1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one is O=C1CCCN1[C@@H](c1ccccc1)[C@@H](OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one?
The InChIKey is LUBDMQRJDDYNNQ-DQEYMECFSA-N. The full InChI is InChI=1S/C25H24FNO2/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-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one?
1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one has a molecular weight of 389.47 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 59552072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).