2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

C14H17F3N2O — CID 80573170

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CC1CNc2ccccc21
InChIInChI=1S/C14H17F3N2O/c1-2-19(9-14(15,16)17)13(20)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,10,18H,2,7-9H2,1H3
InChIKeyIFSIPSFBYQIJLI-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.00
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80573170) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80573170
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CC1CNc2ccccc21
InChIInChI=1S/C14H17F3N2O/c1-2-19(9-14(15,16)17)13(20)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,10,18H,2,7-9H2,1H3
InChIKeyIFSIPSFBYQIJLI-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-phenylacetamide
CID 80572173
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 80566518
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide
CID 80573144
1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one
CID 116593583
N-(2-amino-2-oxoethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-methylacetamide
CID 80573654
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 80566592
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 80572799
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 80577188
2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734732
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 82738126

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (CID 80573170) is 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IFSIPSFBYQIJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-19(9-14(15,16)17)13(20)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,10,18H,2,7-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 286.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80573170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).