(4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one

C24H22FNO2 — CID 73354020

IUPAC(4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](c2ccccc2F)[C@@H]1[C@@H](O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H22FNO2/c1-26-22(27)15-20(19-12-5-6-13-21(19)25)23(26)24(28)18-11-7-10-17(14-18)16-8-3-2-4-9-16/h2-14,20,23-24,28H,15H2,1H3/t20-,23+,24-/m0/s1
InChIKeyBEUNABBKTBAHHM-ZTCOLXNVSA-N
MW375.44 g/mol
LogP4.54
Rot. Bonds4

About (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one

(4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one (PubChem CID 73354020) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one
PubChem CID73354020
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name(4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](c2ccccc2F)[C@@H]1[C@@H](O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H22FNO2/c1-26-22(27)15-20(19-12-5-6-13-21(19)25)23(26)24(28)18-11-7-10-17(14-18)16-8-3-2-4-9-16/h2-14,20,23-24,28H,15H2,1H3/t20-,23+,24-/m0/s1
InChIKeyBEUNABBKTBAHHM-ZTCOLXNVSA-N
XLogP4.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one (CID 73354020) is (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one is CN1C(=O)C[C@@H](c2ccccc2F)[C@@H]1[C@@H](O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one?
The InChIKey is BEUNABBKTBAHHM-ZTCOLXNVSA-N. The full InChI is InChI=1S/C24H22FNO2/c1-26-22(27)15-20(19-12-5-6-13-21(19)25)23(26)24(28)18-11-7-10-17(14-18)16-8-3-2-4-9-16/h2-14,20,23-24,28H,15H2,1H3/t20-,23+,24-/m0/s1.
What are the key properties of (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one?
(4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one has a molecular weight of 375.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 73354020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).