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

C13H13F3N2O — CID 51238620

IUPAC2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C13H13F3N2O/c1-9-6-10-4-2-3-5-11(10)18(9)7-12(19)17-8-13(14,15)16/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyGXWBQQNXUPMORU-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.63
Rot. Bonds3

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

2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 51238620) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID51238620
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C13H13F3N2O/c1-9-6-10-4-2-3-5-11(10)18(9)7-12(19)17-8-13(14,15)16/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyGXWBQQNXUPMORU-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

Analyze 2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 107844939
N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 36907060
N-cyclopropyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]acetamide
CID 46418927
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 55801706
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60981974
sodium 2-(2-methylindol-1-yl)acetate
CID 18735252
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
N-(4-bromophenyl)-2-(2-methylindol-1-yl)acetamide
CID 4226117
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 51238620) is 2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc2ccccc2n1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GXWBQQNXUPMORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-9-6-10-4-2-3-5-11(10)18(9)7-12(19)17-8-13(14,15)16/h2-6H,7-8H2,1H3,(H,17,19).
What are the key properties of 2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-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-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 51238620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).