[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate

C21H19F3N2O5 — CID 18272340

IUPAC[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESCC(=O)N1CCc2cc(NC(=O)COC(=O)COc3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C21H19F3N2O5/c1-13(27)26-8-7-14-9-16(5-6-18(14)26)25-19(28)11-31-20(29)12-30-17-4-2-3-15(10-17)21(22,23)24/h2-6,9-10H,7-8,11-12H2,1H3,(H,25,28)
InChIKeyKJNVYMZKFCLAKW-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.18
Rot. Bonds6

About [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate

[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate (PubChem CID 18272340) has the molecular formula C21H19F3N2O5 and a molecular weight of 436.39 g/mol. Its IUPAC name is [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Name[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
PubChem CID18272340
Molecular FormulaC21H19F3N2O5
Molecular Weight436.39 g/mol
Exact Mass436.12
IUPAC Name[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESCC(=O)N1CCc2cc(NC(=O)COC(=O)COc3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C21H19F3N2O5/c1-13(27)26-8-7-14-9-16(5-6-18(14)26)25-19(28)11-31-20(29)12-30-17-4-2-3-15(10-17)21(22,23)24/h2-6,9-10H,7-8,11-12H2,1H3,(H,25,28)
InChIKeyKJNVYMZKFCLAKW-UHFFFAOYSA-N
XLogP3.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate with MolForge

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853958
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate
CID 24501202
1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide
CID 55803063
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate
CID 71884378
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 17463575
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 18206710
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 7656394
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 30017533
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
CID 8915553

Frequently Asked Questions

What is the IUPAC name of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate (CID 18272340) is [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate is CC(=O)N1CCc2cc(NC(=O)COC(=O)COc3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The InChIKey is KJNVYMZKFCLAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O5/c1-13(27)26-8-7-14-9-16(5-6-18(14)26)25-19(28)11-31-20(29)12-30-17-4-2-3-15(10-17)21(22,23)24/h2-6,9-10H,7-8,11-12H2,1H3,(H,25,28).
What are the key properties of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate has a molecular weight of 436.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 18272340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).