2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide

C12H9F3N2O2 — CID 2174755

IUPAC2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)11(19)8-5-17(6-10(16)18)9-4-2-1-3-7(8)9/h1-5H,6H2,(H2,16,18)
InChIKeyFICCCFIWOMYPNP-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.87
Rot. Bonds3

About 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide

2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide (PubChem CID 2174755) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
PubChem CID2174755
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)11(19)8-5-17(6-10(16)18)9-4-2-1-3-7(8)9/h1-5H,6H2,(H2,16,18)
InChIKeyFICCCFIWOMYPNP-UHFFFAOYSA-N
XLogP1.87
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid
CID 3154371
(1R,3S,5R)-2-[2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 123901125
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
CID 2174852
N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 3546380
2-(3-methylsulfanylindol-1-yl)acetamide
CID 165122763
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
5-[4-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]phenyl]pentylphosphonic acid
CID 134823398
1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 71175664
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The IUPAC name of 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide (CID 2174755) is 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The canonical SMILES for 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide is NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The InChIKey is FICCCFIWOMYPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)11(19)8-5-17(6-10(16)18)9-4-2-1-3-7(8)9/h1-5H,6H2,(H2,16,18).
What are the key properties of 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide has a molecular weight of 270.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide is sourced from PubChem (CID 2174755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).