N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide

C22H25F3N2O — CID 23723919

IUPACN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide
SMILESCN(Cc1ccccc1)C1(CNC(=O)CCC(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C22H25F3N2O/c1-27(15-17-7-3-2-4-8-17)21(13-18-9-5-6-10-19(18)14-21)16-26-20(28)11-12-22(23,24)25/h2-10H,11-16H2,1H3,(H,26,28)
InChIKeySIAPOYWFUZYSPM-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.11
Rot. Bonds7

About N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide

N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide (PubChem CID 23723919) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide
PubChem CID23723919
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide
SMILESCN(Cc1ccccc1)C1(CNC(=O)CCC(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C22H25F3N2O/c1-27(15-17-7-3-2-4-8-17)21(13-18-9-5-6-10-19(18)14-21)16-26-20(28)11-12-22(23,24)25/h2-10H,11-16H2,1H3,(H,26,28)
InChIKeySIAPOYWFUZYSPM-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
CID 6918854
Ksp-IA
CID 24901494
(2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N,N-dimethylethanamide
CID 11465834
(3R,6R)-1-[(1R)-2-(azetidin-1-yl)-1-(2,4-difluorophenyl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11569527
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11590596
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide
CID 11662784
(E)-N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-(4-fluorophenyl)prop-2-enamide
CID 122181329
(S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11529874
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-propionamide
CID 11536862
N-Biphenyl-2-ylmethyl-3-methyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11566229
(2R)-2-(4-fluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N-isopropylethanamide
CID 11569194
N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095

Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide (CID 23723919) is N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide is CN(Cc1ccccc1)C1(CNC(=O)CCC(F)(F)F)Cc2ccccc2C1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide?
The InChIKey is SIAPOYWFUZYSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c1-27(15-17-7-3-2-4-8-17)21(13-18-9-5-6-10-19(18)14-21)16-26-20(28)11-12-22(23,24)25/h2-10H,11-16H2,1H3,(H,26,28).
What are the key properties of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide?
N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide has a molecular weight of 390.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 23723919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).