1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one

C20H21F3N2O — CID 55543965

IUPAC1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
SMILESCN(CCC(=O)N1CCc2ccccc21)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O/c1-24(14-16-7-2-4-8-17(16)20(21,22)23)12-11-19(26)25-13-10-15-6-3-5-9-18(15)25/h2-9H,10-14H2,1H3
InChIKeyPFEGLLXCZWWOBE-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.12
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one

1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one (PubChem CID 55543965) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
PubChem CID55543965
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
SMILESCN(CCC(=O)N1CCc2ccccc21)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O/c1-24(14-16-7-2-4-8-17(16)20(21,22)23)12-11-19(26)25-13-10-15-6-3-5-9-18(15)25/h2-9H,10-14H2,1H3
InChIKeyPFEGLLXCZWWOBE-UHFFFAOYSA-N
XLogP4.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one (CID 55543965) is 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one is CN(CCC(=O)N1CCc2ccccc21)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
The InChIKey is PFEGLLXCZWWOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-24(14-16-7-2-4-8-17(16)20(21,22)23)12-11-19(26)25-13-10-15-6-3-5-9-18(15)25/h2-9H,10-14H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one has a molecular weight of 362.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one is sourced from PubChem (CID 55543965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).