2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide

C21H16F3N3O4 — CID 163362057

IUPAC2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
SMILESO=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)C1=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16F3N3O4/c22-21(23,24)31-13-7-5-12(6-8-13)27-10-9-17(20(27)30)26-19(29)18(28)15-11-25-16-4-2-1-3-14(15)16/h1-8,11,17,25H,9-10H2,(H,26,29)
InChIKeyVZYCGNPYKACHNS-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.17
Rot. Bonds5

About 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide

2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide (PubChem CID 163362057) has the molecular formula C21H16F3N3O4 and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
PubChem CID163362057
Molecular FormulaC21H16F3N3O4
Molecular Weight431.37 g/mol
Exact Mass431.11
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
SMILESO=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)C1=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16F3N3O4/c22-21(23,24)31-13-7-5-12(6-8-13)27-10-9-17(20(27)30)26-19(29)18(28)15-11-25-16-4-2-1-3-14(15)16/h1-8,11,17,25H,9-10H2,(H,26,29)
InChIKeyVZYCGNPYKACHNS-UHFFFAOYSA-N
XLogP3.17
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7255338
3-[2-[[1-(2-chloro-4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoacetyl]-1H-indole-6-carboxylic acid
CID 175403278
N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 95627572
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 10935596
5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride
CID 120633308
4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 19023535
1-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethyl]cyclobutane-1-carboxylic acid
CID 167917563
1-(1H-indol-3-yl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethane-1,2-dione
CID 21428735
2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide
CID 7117325
sodium 6-oxo-6-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]hexanoate
CID 139001995
methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate
CID 139000528

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide (CID 163362057) is 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide is O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)C1=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide?
The InChIKey is VZYCGNPYKACHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O4/c22-21(23,24)31-13-7-5-12(6-8-13)27-10-9-17(20(27)30)26-19(29)18(28)15-11-25-16-4-2-1-3-14(15)16/h1-8,11,17,25H,9-10H2,(H,26,29).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide?
2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide has a molecular weight of 431.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 163362057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).