2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide

C12H11F3N2O — CID 108750477

IUPAC2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
SMILESO=C(NCCn1ccc2ccccc21)C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11(18)16-6-8-17-7-5-9-3-1-2-4-10(9)17/h1-5,7H,6,8H2,(H,16,18)
InChIKeyLTNCKTOPKAUTIC-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.32
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide

2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide (PubChem CID 108750477) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
PubChem CID108750477
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
SMILESO=C(NCCn1ccc2ccccc21)C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11(18)16-6-8-17-7-5-9-3-1-2-4-10(9)17/h1-5,7H,6,8H2,(H,16,18)
InChIKeyLTNCKTOPKAUTIC-UHFFFAOYSA-N
XLogP2.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103732076
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473
1,1-diethyl-3-(2-indol-1-ylethyl)urea
CID 108726423
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972
2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine
CID 62564217
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-(2-indol-1-ylethyl)-2-iodobenzamide
CID 3247556
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-indol-1-ylethyl)acetamide
CID 108811505
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide (CID 108750477) is 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide is O=C(NCCn1ccc2ccccc21)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide?
The InChIKey is LTNCKTOPKAUTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)11(18)16-6-8-17-7-5-9-3-1-2-4-10(9)17/h1-5,7H,6,8H2,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide?
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide has a molecular weight of 256.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide is sourced from PubChem (CID 108750477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).