2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide

C13H13F3N2O2 — CID 10589256

IUPAC2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide
SMILESCOc1ccc2ccn(CCNC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C13H13F3N2O2/c1-20-10-3-2-9-4-6-18(11(9)8-10)7-5-17-12(19)13(14,15)16/h2-4,6,8H,5,7H2,1H3,(H,17,19)
InChIKeyMSPYNSBCMGNIHE-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.33
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide (PubChem CID 10589256) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide
PubChem CID10589256
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide
SMILESCOc1ccc2ccn(CCNC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C13H13F3N2O2/c1-20-10-3-2-9-4-6-18(11(9)8-10)7-5-17-12(19)13(14,15)16/h2-4,6,8H,5,7H2,1H3,(H,17,19)
InChIKeyMSPYNSBCMGNIHE-UHFFFAOYSA-N
XLogP2.33
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide (CID 10589256) is 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide is COc1ccc2ccn(CCNC(=O)C(F)(F)F)c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide?
The InChIKey is MSPYNSBCMGNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-20-10-3-2-9-4-6-18(11(9)8-10)7-5-17-12(19)13(14,15)16/h2-4,6,8H,5,7H2,1H3,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide has a molecular weight of 286.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide is sourced from PubChem (CID 10589256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).