(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C23H24F3N3O2 — CID 25331872

IUPAC(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)18-8-9-20(28-10-4-5-11-28)19(13-18)27-22(31)17-12-21(30)29(15-17)14-16-6-2-1-3-7-16/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,27,31)/t17-/m0/s1
InChIKeyPEYGMEFNIYDDLO-KRWDZBQOSA-N
MW431.46 g/mol
LogP4.29
Rot. Bonds5

About (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 25331872) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID25331872
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)18-8-9-20(28-10-4-5-11-28)19(13-18)27-22(31)17-12-21(30)29(15-17)14-16-6-2-1-3-7-16/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,27,31)/t17-/m0/s1
InChIKeyPEYGMEFNIYDDLO-KRWDZBQOSA-N
XLogP4.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 112791198
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
N-(2-iodophenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738631
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25332412
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 120605691
1-(benzenesulfonyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 60550897
5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 42977398
(3S)-N-benzyl-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018032
5-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55756656
1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 154759959
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 25331872) is (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is PEYGMEFNIYDDLO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c24-23(25,26)18-8-9-20(28-10-4-5-11-28)19(13-18)27-22(31)17-12-21(30)29(15-17)14-16-6-2-1-3-7-16/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,27,31)/t17-/m0/s1.
What are the key properties of (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 25331872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).