[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate

C20H17F3N2O3 — CID 7960233

IUPAC[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESC[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O3/c1-12(19(27)25-15-8-6-14(7-9-15)20(21,22)23)28-18(26)10-13-11-24-17-5-3-2-4-16(13)17/h2-9,11-12,24H,10H2,1H3,(H,25,27)/t12-/m1/s1
InChIKeyKPNVZCZISUMCAS-GFCCVEGCSA-N
MW390.36 g/mol
LogP4.30
Rot. Bonds5

About [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate

[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960233) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
PubChem CID7960233
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESC[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O3/c1-12(19(27)25-15-8-6-14(7-9-15)20(21,22)23)28-18(26)10-13-11-24-17-5-3-2-4-16(13)17/h2-9,11-12,24H,10H2,1H3,(H,25,27)/t12-/m1/s1
InChIKeyKPNVZCZISUMCAS-GFCCVEGCSA-N
XLogP4.30
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate with MolForge

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Related Compounds

[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7664829
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960222
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611022
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 4884826
[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 18271241
[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 42900597
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 1H-indazole-3-carboxylate
CID 7956494
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3,3-dimethylbutanoate
CID 7950830
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 47011526
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 40616153
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1H-indole-3-carboxylate
CID 8606015

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate (CID 7960233) is [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate is C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate?
The InChIKey is KPNVZCZISUMCAS-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-12(19(27)25-15-8-6-14(7-9-15)20(21,22)23)28-18(26)10-13-11-24-17-5-3-2-4-16(13)17/h2-9,11-12,24H,10H2,1H3,(H,25,27)/t12-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate?
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate has a molecular weight of 390.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).