N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide

C22H22F3N3O3 — CID 86966069

IUPACN-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)17-9-4-8-16(12-17)18(14-28-11-5-10-20(28)30)27-19(29)13-26-21(31)15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,26,31)(H,27,29)
InChIKeyLZPJHENFSVHWJN-UHFFFAOYSA-N
MW433.43 g/mol
LogP2.92
Rot. Bonds7

About N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide

N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide (PubChem CID 86966069) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
PubChem CID86966069
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC NameN-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)17-9-4-8-16(12-17)18(14-28-11-5-10-20(28)30)27-19(29)13-26-21(31)15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,26,31)(H,27,29)
InChIKeyLZPJHENFSVHWJN-UHFFFAOYSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
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N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
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2-(2-chlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
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4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
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1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(propylsulfonylamino)benzamide
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CID 51948079
2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
CID 86834039
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55714605
3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide (CID 86966069) is N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide?
The InChIKey is LZPJHENFSVHWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c23-22(24,25)17-9-4-8-16(12-17)18(14-28-11-5-10-20(28)30)27-19(29)13-26-21(31)15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,26,31)(H,27,29).
What are the key properties of N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide?
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide has a molecular weight of 433.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 86966069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).