1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide

C26H28F3N3O3 — CID 55714326

IUPAC1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NC(CN3CCCC3=O)c3cccc(C(F)(F)F)c3)CC2=O)c1C
InChIInChI=1S/C26H28F3N3O3/c1-16-6-3-9-22(17(16)2)32-14-19(13-24(32)34)25(35)30-21(15-31-11-5-10-23(31)33)18-7-4-8-20(12-18)26(27,28)29/h3-4,6-9,12,19,21H,5,10-11,13-15H2,1-2H3,(H,30,35)
InChIKeyQMRGLVYMNVDINW-UHFFFAOYSA-N
MW487.52 g/mol
LogP4.16
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 55714326) has the molecular formula C26H28F3N3O3 and a molecular weight of 487.52 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
PubChem CID55714326
Molecular FormulaC26H28F3N3O3
Molecular Weight487.52 g/mol
Exact Mass487.21
IUPAC Name1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NC(CN3CCCC3=O)c3cccc(C(F)(F)F)c3)CC2=O)c1C
InChIInChI=1S/C26H28F3N3O3/c1-16-6-3-9-22(17(16)2)32-14-19(13-24(32)34)25(35)30-21(15-31-11-5-10-23(31)33)18-7-4-8-20(12-18)26(27,28)29/h3-4,6-9,12,19,21H,5,10-11,13-15H2,1-2H3,(H,30,35)
InChIKeyQMRGLVYMNVDINW-UHFFFAOYSA-N
XLogP4.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 18225532
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide
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N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
(1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 51948082
(3S)-3-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1,3-dicarboxamide
CID 51948108
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
1-(4-fluoro-3-methylphenyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86888512
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55714480
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55714605
2-(2-chlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42961750
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide (CID 55714326) is 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)NC(CN3CCCC3=O)c3cccc(C(F)(F)F)c3)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is QMRGLVYMNVDINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O3/c1-16-6-3-9-22(17(16)2)32-14-19(13-24(32)34)25(35)30-21(15-31-11-5-10-23(31)33)18-7-4-8-20(12-18)26(27,28)29/h3-4,6-9,12,19,21H,5,10-11,13-15H2,1-2H3,(H,30,35).
What are the key properties of 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55714326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).