1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide

C20H19F3N2O3 — CID 55803063

IUPAC1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCCOc3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C20H19F3N2O3/c1-13(26)25-9-7-14-11-15(5-6-18(14)25)19(27)24-8-10-28-17-4-2-3-16(12-17)20(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,27)
InChIKeyPUFWRGMAGVWUQV-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.42
Rot. Bonds5

About 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 55803063) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID55803063
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCCOc3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C20H19F3N2O3/c1-13(26)25-9-7-14-11-15(5-6-18(14)25)19(27)24-8-10-28-17-4-2-3-16(12-17)20(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,27)
InChIKeyPUFWRGMAGVWUQV-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 18272340
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803408
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865968

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide (CID 55803063) is 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NCCOc3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is PUFWRGMAGVWUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-13(26)25-9-7-14-11-15(5-6-18(14)25)19(27)24-8-10-28-17-4-2-3-16(12-17)20(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,27).
What are the key properties of 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55803063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).