1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one

C22H22F3NO2 — CID 143373042

IUPAC1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](c1ccc(F)cc1)C(OCC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H22F3NO2/c23-17-7-5-15(6-8-17)21(26-9-1-2-20(26)27)22(28-13-14-3-4-14)16-10-18(24)12-19(25)11-16/h5-8,10-12,14,21-22H,1-4,9,13H2/t21-,22?/m0/s1
InChIKeyOKEBCRPMCRMSKL-HMTLIYDFSA-N
MW389.42 g/mol
LogP4.94
Rot. Bonds7

About 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one

1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 143373042) has the molecular formula C22H22F3NO2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID143373042
Molecular FormulaC22H22F3NO2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](c1ccc(F)cc1)C(OCC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H22F3NO2/c23-17-7-5-15(6-8-17)21(26-9-1-2-20(26)27)22(28-13-14-3-4-14)16-10-18(24)12-19(25)11-16/h5-8,10-12,14,21-22H,1-4,9,13H2/t21-,22?/m0/s1
InChIKeyOKEBCRPMCRMSKL-HMTLIYDFSA-N
XLogP4.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2R)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 59551976
1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-ethynylphenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 89016853
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-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
CID 59552081
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)-1-(4-fluorophenyl)-2-[4-(methyliminomethyl)phenoxy]-2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
CID 162553088
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-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one
CID 89016860
1-[(1S,2R)-2-[(4-chlorophenyl)methoxy]-2-(3,4-difluorophenyl)-1-pyridin-3-ylethyl]pyrrolidin-2-one
CID 59552146

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one (CID 143373042) is 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one is O=C1CCCN1[C@@H](c1ccc(F)cc1)C(OCC1CC1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is OKEBCRPMCRMSKL-HMTLIYDFSA-N. The full InChI is InChI=1S/C22H22F3NO2/c23-17-7-5-15(6-8-17)21(26-9-1-2-20(26)27)22(28-13-14-3-4-14)16-10-18(24)12-19(25)11-16/h5-8,10-12,14,21-22H,1-4,9,13H2/t21-,22?/m0/s1.
What are the key properties of 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 389.42 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 143373042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).