2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C13H14F3N3O — CID 102913543

IUPAC2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCc1cccc2ccn(CC(=O)NCC(F)(F)F)c12
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)8-18-11(20)7-19-5-4-9-2-1-3-10(6-17)12(9)19/h1-5H,6-8,17H2,(H,18,20)
InChIKeyMQJGWJLHEHYJPH-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.78
Rot. Bonds4

About 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102913543) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102913543
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCc1cccc2ccn(CC(=O)NCC(F)(F)F)c12
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)8-18-11(20)7-19-5-4-9-2-1-3-10(6-17)12(9)19/h1-5H,6-8,17H2,(H,18,20)
InChIKeyMQJGWJLHEHYJPH-UHFFFAOYSA-N
XLogP1.78
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 102913543) is 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCc1cccc2ccn(CC(=O)NCC(F)(F)F)c12.
What is the InChIKey of 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MQJGWJLHEHYJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)8-18-11(20)7-19-5-4-9-2-1-3-10(6-17)12(9)19/h1-5H,6-8,17H2,(H,18,20).
What are the key properties of 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 285.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102913543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).