N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide

C23H21F3N2O2 — CID 168986710

IUPACN-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12)C1CC12CCC2
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)15-4-2-14(3-5-15)13-30-16-6-7-19-17(10-16)20(12-27-19)28-21(29)18-11-22(18)8-1-9-22/h2-7,10,12,18,27H,1,8-9,11,13H2,(H,28,29)
InChIKeyWNQXHKICTSSCEL-UHFFFAOYSA-N
MW414.43 g/mol
LogP5.89
Rot. Bonds5

About N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide

N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide (PubChem CID 168986710) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
PubChem CID168986710
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12)C1CC12CCC2
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)15-4-2-14(3-5-15)13-30-16-6-7-19-17(10-16)20(12-27-19)28-21(29)18-11-22(18)8-1-9-22/h2-7,10,12,18,27H,1,8-9,11,13H2,(H,28,29)
InChIKeyWNQXHKICTSSCEL-UHFFFAOYSA-N
XLogP5.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059611
(2R,4S)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[3.1.1]heptane-2-carboxamide
CID 170059461
1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167467668
methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
CID 167467992
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
CID 168986863
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
CID 167467744
2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467491
(2R)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059439
1-(2,2,2-trifluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468292

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide (CID 168986710) is N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide is O=C(Nc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12)C1CC12CCC2.
What is the InChIKey of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide?
The InChIKey is WNQXHKICTSSCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-23(25,26)15-4-2-14(3-5-15)13-30-16-6-7-19-17(10-16)20(12-27-19)28-21(29)18-11-22(18)8-1-9-22/h2-7,10,12,18,27H,1,8-9,11,13H2,(H,28,29).
What are the key properties of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide?
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 168986710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).