2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C13H13F3N2O — CID 116623041

IUPAC2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc2c(ccn2CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O/c1-9-2-3-11-10(6-9)4-5-18(11)7-12(19)17-8-13(14,15)16/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyGYZWRFVZFWGVLU-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.63
Rot. Bonds3

About 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 116623041) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID116623041
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc2c(ccn2CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O/c1-9-2-3-11-10(6-9)4-5-18(11)7-12(19)17-8-13(14,15)16/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyGYZWRFVZFWGVLU-UHFFFAOYSA-N
XLogP2.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
CID 116622948
1-methoxy-3-(5-methylindol-1-yl)propan-2-one
CID 107507773
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 102913543
5-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116622885
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
CID 63555836
2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623796
2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid
CID 166376773
N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111335212

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 116623041) is 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc2c(ccn2CC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GYZWRFVZFWGVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-9-2-3-11-10(6-9)4-5-18(11)7-12(19)17-8-13(14,15)16/h2-6H,7-8H2,1H3,(H,17,19).
What are the key properties of 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 270.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 116623041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).