3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide

C22H22F4N2O3 — CID 42440951

IUPAC3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H22F4N2O3/c23-17-6-4-15(5-7-17)13-21(11-9-20(30)28-21)10-8-19(29)27-14-16-2-1-3-18(12-16)31-22(24,25)26/h1-7,12H,8-11,13-14H2,(H,27,29)(H,28,30)/t21-/m1/s1
InChIKeyJJEWFONMDRBBAL-OAQYLSRUSA-N
MW438.42 g/mol
LogP4.01
Rot. Bonds8

About 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide

3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 42440951) has the molecular formula C22H22F4N2O3 and a molecular weight of 438.42 g/mol. Its IUPAC name is 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID42440951
Molecular FormulaC22H22F4N2O3
Molecular Weight438.42 g/mol
Exact Mass438.16
IUPAC Name3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H22F4N2O3/c23-17-6-4-15(5-7-17)13-21(11-9-20(30)28-21)10-8-19(29)27-14-16-2-1-3-18(12-16)31-22(24,25)26/h1-7,12H,8-11,13-14H2,(H,27,29)(H,28,30)/t21-/m1/s1
InChIKeyJJEWFONMDRBBAL-OAQYLSRUSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42453177
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
CID 45185306
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42321392
N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26335072
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26278897
N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45179274
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42248204
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42168999
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42371762
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42424462

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide (CID 42440951) is 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide is O=C(CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is JJEWFONMDRBBAL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22F4N2O3/c23-17-6-4-15(5-7-17)13-21(11-9-20(30)28-21)10-8-19(29)27-14-16-2-1-3-18(12-16)31-22(24,25)26/h1-7,12H,8-11,13-14H2,(H,27,29)(H,28,30)/t21-/m1/s1.
What are the key properties of 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 438.42 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 42440951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).