(5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one

C21H22FNO3 — CID 16744791

IUPAC(5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one
SMILESO=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H22FNO3/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(13-14-21(23)26)15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,24H,4,7-8,13-14H2/t18-,19+/m1/s1
InChIKeyUYCXTKYCCPHMEA-MOPGFXCFSA-N
MW355.41 g/mol
LogP3.92
Rot. Bonds6

About (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one

(5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one (PubChem CID 16744791) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one
PubChem CID16744791
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name(5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one
SMILESO=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H22FNO3/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(13-14-21(23)26)15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,24H,4,7-8,13-14H2/t18-,19+/m1/s1
InChIKeyUYCXTKYCCPHMEA-MOPGFXCFSA-N
XLogP3.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-)-Clausenamide
CID 5315946
2-[3-[[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 10271903
(4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10269700
(4R,5R)-5-[(S)-Hydroxy-(3-trifluoromethyl-phenyl)-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397898
(4R,5R)-5-((S)-Biphenyl-3-yl-hydroxy-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397951
(4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one
CID 73354020
(+)Clausenamide
CID 128412
L-Clausenamide
CID 9904294
(-)-Cis-Clausenamide
CID 10125525
(+)-Epi-Neoclausenamide
CID 10149518
(+)Neoclausenamide
CID 10149519
(-)-Epi-Clausenamide
CID 10149520

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one?
The IUPAC name of (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one (CID 16744791) is (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one is O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)CC[C@@H]1c1ccccc1.
What is the InChIKey of (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one?
The InChIKey is UYCXTKYCCPHMEA-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H22FNO3/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(13-14-21(23)26)15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,24H,4,7-8,13-14H2/t18-,19+/m1/s1.
What are the key properties of (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one?
(5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one has a molecular weight of 355.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 16744791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).