1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one

C22H23F2NO2 — CID 59551976

IUPAC1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccc(F)cc1)[C@H](OCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F2NO2/c23-18-9-5-16(6-10-18)21(25-13-1-2-20(25)26)22(27-14-15-3-4-15)17-7-11-19(24)12-8-17/h5-12,15,21-22H,1-4,13-14H2/t21-,22-/m1/s1
InChIKeyVKPGWWCOPKCOFG-FGZHOGPDSA-N
MW371.43 g/mol
LogP4.80
Rot. Bonds7

About 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one

1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 59551976) has the molecular formula C22H23F2NO2 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID59551976
Molecular FormulaC22H23F2NO2
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccc(F)cc1)[C@H](OCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F2NO2/c23-18-9-5-16(6-10-18)21(25-13-1-2-20(25)26)22(27-14-15-3-4-15)17-7-11-19(24)12-8-17/h5-12,15,21-22H,1-4,13-14H2/t21-,22-/m1/s1
InChIKeyVKPGWWCOPKCOFG-FGZHOGPDSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 143373042
1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-ethynylphenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 89016853
1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
CID 59552081
1-[(1S)-2-[[2-[2-[4-[(1S,2R)-1-(cyclopropylmethoxy)-2-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)ethyl]phenyl]-2H-azirin-3-yl]cyclopropyl]methoxy]-1-(4-fluorophenyl)-2-[4-(methyliminomethyl)phenyl]ethyl]pyrrolidin-2-one
CID 143372954
1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one
CID 143373091
1-[(1R,2S)-2-[(4-chlorophenyl)methoxy]-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 59552028
4-[(2R)-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile
CID 143373089
1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
CID 59551993
1-[(1R,2S)-1-(4-fluorophenyl)-2-[4-(methyliminomethyl)phenoxy]-2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
CID 162553088
1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
CID 73175494
4-[(1S,2R)-1-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-2-quinolin-8-ylethoxy]benzonitrile
CID 59552040
1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one
CID 89016860

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one (CID 59551976) is 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one is O=C1CCCN1[C@H](c1ccc(F)cc1)[C@H](OCC1CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is VKPGWWCOPKCOFG-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H23F2NO2/c23-18-9-5-16(6-10-18)21(25-13-1-2-20(25)26)22(27-14-15-3-4-15)17-7-11-19(24)12-8-17/h5-12,15,21-22H,1-4,13-14H2/t21-,22-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one?
1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 371.43 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 59551976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).