N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide

C19H22F3N3O2 — CID 167468036

IUPACN-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(COCC3C4CN(CC(F)(F)F)CC34)cc12
InChIInChI=1S/C19H22F3N3O2/c1-11(26)24-18-5-23-17-3-2-12(4-13(17)18)8-27-9-16-14-6-25(7-15(14)16)10-19(20,21)22/h2-5,14-16,23H,6-10H2,1H3,(H,24,26)
InChIKeyCYCVLAUPHLVZKB-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.38
Rot. Bonds6

About N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide

N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide (PubChem CID 167468036) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide
PubChem CID167468036
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(COCC3C4CN(CC(F)(F)F)CC34)cc12
InChIInChI=1S/C19H22F3N3O2/c1-11(26)24-18-5-23-17-3-2-12(4-13(17)18)8-27-9-16-14-6-25(7-15(14)16)10-19(20,21)22/h2-5,14-16,23H,6-10H2,1H3,(H,24,26)
InChIKeyCYCVLAUPHLVZKB-UHFFFAOYSA-N
XLogP3.38
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
1-(2,2,2-trifluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468292
N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
CID 167467546
N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide
CID 167467458
3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 170094940
(2R)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059439
(2R)-N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]bicyclo[3.1.1]heptane-2-carboxamide
CID 170059801
(2S)-N-[5-[2-[(3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-2-hydroxybutanamide
CID 167467651
N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
CID 168986869
N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 167467705
1-(5-chloro-1H-indol-3-yl)-3-[5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]urea
CID 156574513
N-[5-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]oxy]-1H-indol-3-yl]acetamide
CID 167468115

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide?
The IUPAC name of N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide (CID 167468036) is N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide is CC(=O)Nc1c[nH]c2ccc(COCC3C4CN(CC(F)(F)F)CC34)cc12.
What is the InChIKey of N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide?
The InChIKey is CYCVLAUPHLVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-11(26)24-18-5-23-17-3-2-12(4-13(17)18)8-27-9-16-14-6-25(7-15(14)16)10-19(20,21)22/h2-5,14-16,23H,6-10H2,1H3,(H,24,26).
What are the key properties of N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide?
N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 167468036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).