2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C13H13F3N2O2 — CID 594980

IUPAC2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C13H13F3N2O2/c1-20-9-2-3-11-10(6-9)8(7-18-11)4-5-17-12(19)13(14,15)16/h2-3,6-7,18H,4-5H2,1H3,(H,17,19)
InChIKeySFZDYZZYPDGADB-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.40
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 594980) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID594980
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C13H13F3N2O2/c1-20-9-2-3-11-10(6-9)8(7-18-11)4-5-17-12(19)13(14,15)16/h2-3,6-7,18H,4-5H2,1H3,(H,17,19)
InChIKeySFZDYZZYPDGADB-UHFFFAOYSA-N
XLogP2.40
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 594980) is 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(=O)C(F)(F)F)c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is SFZDYZZYPDGADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-20-9-2-3-11-10(6-9)8(7-18-11)4-5-17-12(19)13(14,15)16/h2-3,6-7,18H,4-5H2,1H3,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 286.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 594980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).