2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride

C20H23ClF3N3O — CID 120847394

IUPAC2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2c1NCC2.Cl
InChIInChI=1S/C20H22F3N3O.ClH/c1-2-26(12-15-7-5-6-14-10-11-24-19(14)15)13-18(27)25-17-9-4-3-8-16(17)20(21,22)23;/h3-9,24H,2,10-13H2,1H3,(H,25,27);1H
InChIKeyLWIDCRAZYUWXOR-UHFFFAOYSA-N
MW413.87 g/mol
LogP4.56
Rot. Bonds6

About 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride

2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 120847394) has the molecular formula C20H23ClF3N3O and a molecular weight of 413.87 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID120847394
Molecular FormulaC20H23ClF3N3O
Molecular Weight413.87 g/mol
Exact Mass413.15
IUPAC Name2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2c1NCC2.Cl
InChIInChI=1S/C20H22F3N3O.ClH/c1-2-26(12-15-7-5-6-14-10-11-24-19(14)15)13-18(27)25-17-9-4-3-8-16(17)20(21,22)23;/h3-9,24H,2,10-13H2,1H3,(H,25,27);1H
InChIKeyLWIDCRAZYUWXOR-UHFFFAOYSA-N
XLogP4.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]acetamide
CID 120847730
N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide
CID 120847738
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78832350
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24506960
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid
CID 119934823
2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26514549
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride
CID 120849154
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-(2-cyanoethyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 34691947

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 120847394) is 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride is CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2c1NCC2.Cl.
What is the InChIKey of 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is LWIDCRAZYUWXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O.ClH/c1-2-26(12-15-7-5-6-14-10-11-24-19(14)15)13-18(27)25-17-9-4-3-8-16(17)20(21,22)23;/h3-9,24H,2,10-13H2,1H3,(H,25,27);1H.
What are the key properties of 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride?
2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 413.87 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120847394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).