2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C17H18F3N3O3 — CID 70736858

IUPAC2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C2(CCN(C(=O)CCC(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)6-5-14(25)22-8-7-16(10-22)11-3-1-2-4-12(11)23(15(16)26)9-13(21)24/h1-4H,5-10H2,(H2,21,24)
InChIKeyLZXLLDBYFLOQSD-UHFFFAOYSA-N
MW369.34 g/mol
LogP1.33
Rot. Bonds4

About 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 70736858) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID70736858
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C2(CCN(C(=O)CCC(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)6-5-14(25)22-8-7-16(10-22)11-3-1-2-4-12(11)23(15(16)26)9-13(21)24/h1-4H,5-10H2,(H2,21,24)
InChIKeyLZXLLDBYFLOQSD-UHFFFAOYSA-N
XLogP1.33
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 70736858) is 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is NC(=O)CN1C(=O)C2(CCN(C(=O)CCC(F)(F)F)C2)c2ccccc21.
What is the InChIKey of 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is LZXLLDBYFLOQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)6-5-14(25)22-8-7-16(10-22)11-3-1-2-4-12(11)23(15(16)26)9-13(21)24/h1-4H,5-10H2,(H2,21,24).
What are the key properties of 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 70736858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).