1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one

C26H26ClNO3 — CID 59552066

IUPAC1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one
SMILESCOc1ccc(CO[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)N2CCCC2=O)cc1
InChIInChI=1S/C26H26ClNO3/c1-30-23-15-9-19(10-16-23)18-31-26(21-11-13-22(27)14-12-21)25(20-6-3-2-4-7-20)28-17-5-8-24(28)29/h2-4,6-7,9-16,25-26H,5,8,17-18H2,1H3/t25-,26+/m0/s1
InChIKeyPFUYVKOHXLGPEA-IZZNHLLZSA-N
MW435.95 g/mol
LogP5.97
Rot. Bonds8

About 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one

1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one (PubChem CID 59552066) has the molecular formula C26H26ClNO3 and a molecular weight of 435.95 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one
PubChem CID59552066
Molecular FormulaC26H26ClNO3
Molecular Weight435.95 g/mol
Exact Mass435.16
IUPAC Name1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one
SMILESCOc1ccc(CO[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)N2CCCC2=O)cc1
InChIInChI=1S/C26H26ClNO3/c1-30-23-15-9-19(10-16-23)18-31-26(21-11-13-22(27)14-12-21)25(20-6-3-2-4-7-20)28-17-5-8-24(28)29/h2-4,6-7,9-16,25-26H,5,8,17-18H2,1H3/t25-,26+/m0/s1
InChIKeyPFUYVKOHXLGPEA-IZZNHLLZSA-N
XLogP5.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.95
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
CID 59551993
1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
CID 73175494
1-[(1R,2S)-2-[(4-chlorophenyl)methoxy]-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 59552028
1-[(1S,2R)-2-[(4-chlorophenyl)methoxy]-2-(3,4-difluorophenyl)-1-pyridin-3-ylethyl]pyrrolidin-2-one
CID 59552146
4-[(1S,2R)-1-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)-2-phenylethoxy]benzonitrile
CID 59551979
1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
CID 59552081
1-[(1S,2S)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-one
CID 59774528
1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one
CID 91805545
(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
CID 134864557
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
CID 154717250
1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one
CID 143373091
1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one
CID 59552090

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one (CID 59552066) is 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one is COc1ccc(CO[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)N2CCCC2=O)cc1.
What is the InChIKey of 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is PFUYVKOHXLGPEA-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H26ClNO3/c1-30-23-15-9-19(10-16-23)18-31-26(21-11-13-22(27)14-12-21)25(20-6-3-2-4-7-20)28-17-5-8-24(28)29/h2-4,6-7,9-16,25-26H,5,8,17-18H2,1H3/t25-,26+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one?
1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 435.95 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 59552066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).