2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate

C26H24FNO4 — CID 91215206

IUPAC2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C26H24FNO4/c27-22-8-4-7-20(15-22)18-32-24-11-9-23(10-12-24)28-17-21(16-25(28)29)26(30)31-14-13-19-5-2-1-3-6-19/h1-12,15,21H,13-14,16-18H2/t21-/m1/s1
InChIKeySGXGZZCNRHEOQF-OAQYLSRUSA-N
MW433.48 g/mol
LogP4.54
Rot. Bonds8

About 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate

2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 91215206) has the molecular formula C26H24FNO4 and a molecular weight of 433.48 g/mol. Its IUPAC name is 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID91215206
Molecular FormulaC26H24FNO4
Molecular Weight433.48 g/mol
Exact Mass433.17
IUPAC Name2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C26H24FNO4/c27-22-8-4-7-20(15-22)18-32-24-11-9-23(10-12-24)28-17-21(16-25(28)29)26(30)31-14-13-19-5-2-1-3-6-19/h1-12,15,21H,13-14,16-18H2/t21-/m1/s1
InChIKeySGXGZZCNRHEOQF-OAQYLSRUSA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate
CID 67411336
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one
CID 122492399
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
(3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 68614672
N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 10246762
ethane;N-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 144836613
(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile
CID 160501661
(4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19615469
tert-butyl N-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]carbamate
CID 68615181
[2-(2,4-dichlorophenyl)-2-oxoethyl] (3R)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylate
CID 126007020
(2-chloro-6-fluorophenyl)methyl 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 3392488
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate (CID 91215206) is 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate is O=C(OCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1.
What is the InChIKey of 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SGXGZZCNRHEOQF-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H24FNO4/c27-22-8-4-7-20(15-22)18-32-24-11-9-23(10-12-24)28-17-21(16-25(28)29)26(30)31-14-13-19-5-2-1-3-6-19/h1-12,15,21H,13-14,16-18H2/t21-/m1/s1.
What are the key properties of 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate?
2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 433.48 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 91215206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).