N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide

C22H21F3N2O2 — CID 167467692

IUPACN-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1c[nH]c2ccc(CCOc3ccc(C(F)(F)F)cc3)cc12)C1CCC1
InChIInChI=1S/C22H21F3N2O2/c23-22(24,25)16-5-7-17(8-6-16)29-11-10-14-4-9-19-18(12-14)20(13-26-19)27-21(28)15-2-1-3-15/h4-9,12-13,15,26H,1-3,10-11H2,(H,27,28)
InChIKeyKDJGOXXBEYHMGP-UHFFFAOYSA-N
MW402.42 g/mol
LogP5.55
Rot. Bonds6

About N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide

N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide (PubChem CID 167467692) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
PubChem CID167467692
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC NameN-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1c[nH]c2ccc(CCOc3ccc(C(F)(F)F)cc3)cc12)C1CCC1
InChIInChI=1S/C22H21F3N2O2/c23-22(24,25)16-5-7-17(8-6-16)29-11-10-14-4-9-19-18(12-14)20(13-26-19)27-21(28)15-2-1-3-15/h4-9,12-13,15,26H,1-3,10-11H2,(H,27,28)
InChIKeyKDJGOXXBEYHMGP-UHFFFAOYSA-N
XLogP5.55
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-methyl-N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467793
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
1-(2,2,2-trifluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468292
1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468236
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
CID 167467905
2-[(1R,2R)-2-cyanocyclopropyl]-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]acetamide
CID 167467986
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
CID 168986710
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
CID 168986829
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
CID 168986715
N-(3,3-difluorobutylsulfanyl)-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-amine
CID 168986982

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide (CID 167467692) is N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide is O=C(Nc1c[nH]c2ccc(CCOc3ccc(C(F)(F)F)cc3)cc12)C1CCC1.
What is the InChIKey of N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide?
The InChIKey is KDJGOXXBEYHMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c23-22(24,25)16-5-7-17(8-6-16)29-11-10-14-4-9-19-18(12-14)20(13-26-19)27-21(28)15-2-1-3-15/h4-9,12-13,15,26H,1-3,10-11H2,(H,27,28).
What are the key properties of N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide?
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide has a molecular weight of 402.42 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 167467692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).