2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide

C19H21F3N2O2 — CID 51118138

IUPAC2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide
SMILESCOCC(=O)NC1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-12-9-15-16(23-18(25)11-26-2)7-4-8-17(15)24(12)14-6-3-5-13(10-14)19(20,21)22/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,23,25)
InChIKeyGLLJOOBKFQZWFT-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.94
Rot. Bonds4

About 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide

2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide (PubChem CID 51118138) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide
PubChem CID51118138
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide
SMILESCOCC(=O)NC1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-12-9-15-16(23-18(25)11-26-2)7-4-8-17(15)24(12)14-6-3-5-13(10-14)19(20,21)22/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,23,25)
InChIKeyGLLJOOBKFQZWFT-UHFFFAOYSA-N
XLogP3.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548196
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 26321264
N-[4-[5-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methoxyacetamide
CID 133243428
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] (2S)-oxolane-2-carboxylate
CID 51429787
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55602414
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide
CID 82176214
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 2128006
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 41144264
3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4517212

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide (CID 51118138) is 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide is COCC(=O)NC1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide?
The InChIKey is GLLJOOBKFQZWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-12-9-15-16(23-18(25)11-26-2)7-4-8-17(15)24(12)14-6-3-5-13(10-14)19(20,21)22/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,23,25).
What are the key properties of 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide?
2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]acetamide is sourced from PubChem (CID 51118138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).