2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide

C15H15F3N2O — CID 73294065

IUPAC2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/N(CCc1c[nH]c2ccccc12)C(=O)C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-2-8-20(14(21)15(16,17)18)9-7-11-10-19-13-6-4-3-5-12(11)13/h2-6,8,10,19H,7,9H2,1H3/b8-2+
InChIKeyLHAWLTRIFADRFS-KRXBUXKQSA-N
MW296.29 g/mol
LogP3.63
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide

2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide (PubChem CID 73294065) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide
PubChem CID73294065
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/N(CCc1c[nH]c2ccccc12)C(=O)C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-2-8-20(14(21)15(16,17)18)9-7-11-10-19-13-6-4-3-5-12(11)13/h2-6,8,10,19H,7,9H2,1H3/b8-2+
InChIKeyLHAWLTRIFADRFS-KRXBUXKQSA-N
XLogP3.63
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
dimethyl 2-[(E)-3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]prop-2-enylidene]propanedioate
CID 11728369
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24544360
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide
CID 47101909
CID 156836279
CID 156836279
S-[4-(1H-indol-3-yl)butyl] ethanethioate
CID 125470849

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide (CID 73294065) is 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide is C/C=C/N(CCc1c[nH]c2ccccc12)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide?
The InChIKey is LHAWLTRIFADRFS-KRXBUXKQSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-2-8-20(14(21)15(16,17)18)9-7-11-10-19-13-6-4-3-5-12(11)13/h2-6,8,10,19H,7,9H2,1H3/b8-2+.
What are the key properties of 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide?
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide has a molecular weight of 296.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide is sourced from PubChem (CID 73294065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).