2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide

C14H13BrF3N3O2 — CID 130323517

IUPAC2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CNC2)c2c(Br)cccc21)NCC(F)(F)F
InChIInChI=1S/C14H13BrF3N3O2/c15-8-2-1-3-9-11(8)13(5-19-6-13)12(23)21(9)4-10(22)20-7-14(16,17)18/h1-3,19H,4-7H2,(H,20,22)
InChIKeyFFPSBSPDPHBKKB-UHFFFAOYSA-N
MW392.18 g/mol
LogP1.32
Rot. Bonds3

About 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 130323517) has the molecular formula C14H13BrF3N3O2 and a molecular weight of 392.18 g/mol. Its IUPAC name is 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID130323517
Molecular FormulaC14H13BrF3N3O2
Molecular Weight392.18 g/mol
Exact Mass391.01
IUPAC Name2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CNC2)c2c(Br)cccc21)NCC(F)(F)F
InChIInChI=1S/C14H13BrF3N3O2/c15-8-2-1-3-9-11(8)13(5-19-6-13)12(23)21(9)4-10(22)20-7-14(16,17)18/h1-3,19H,4-7H2,(H,20,22)
InChIKeyFFPSBSPDPHBKKB-UHFFFAOYSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carbonyl)-4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 155295591
2-[4'-bromo-4-(1H-indazol-5-yloxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 176975407
4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 159092005
2-[5-fluoro-4-(iodomethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 130323628
methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
CID 130323698
2-(1'-benzyl-4-bromo-7-fluoro-2-oxospiro[indole-3,4'-piperidine]-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 130323651
2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 155295549
2-[4-bromo-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 130323550
2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 47449431
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742
1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 107598645
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706

Frequently Asked Questions

What is the IUPAC name of 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 130323517) is 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)C2(CNC2)c2c(Br)cccc21)NCC(F)(F)F.
What is the InChIKey of 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FFPSBSPDPHBKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3O2/c15-8-2-1-3-9-11(8)13(5-19-6-13)12(23)21(9)4-10(22)20-7-14(16,17)18/h1-3,19H,4-7H2,(H,20,22).
What are the key properties of 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 392.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 130323517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).