N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene

C23H23F3N2O2 — CID 167467905

IUPACN-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.O=C(Nc1c[nH]c2ccc(OC3CCC3)cc12)C1CC1
InChIInChI=1S/C16H18N2O2.C7H5F3/c19-16(10-4-5-10)18-15-9-17-14-7-6-12(8-13(14)15)20-11-2-1-3-11;8-7(9,10)6-4-2-1-3-5-6/h6-11,17H,1-5H2,(H,18,19);1-5H
InChIKeyWVFIGXOSULCQAN-UHFFFAOYSA-N
MW416.44 g/mol
LogP6.15
Rot. Bonds4

About N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene

N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene (PubChem CID 167467905) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene.

Molecular Properties

Compound NameN-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
PubChem CID167467905
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC NameN-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.O=C(Nc1c[nH]c2ccc(OC3CCC3)cc12)C1CC1
InChIInChI=1S/C16H18N2O2.C7H5F3/c19-16(10-4-5-10)18-15-9-17-14-7-6-12(8-13(14)15)20-11-2-1-3-11;8-7(9,10)6-4-2-1-3-5-6/h6-11,17H,1-5H2,(H,18,19);1-5H
InChIKeyWVFIGXOSULCQAN-UHFFFAOYSA-N
XLogP6.15
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
CID 167468016
2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467491
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 168986833
N-[5-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]oxy]-1H-indol-3-yl]acetamide
CID 167468115
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468236
1-(2,2,2-trifluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468292
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
CID 168986710
(2R,4S)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[3.1.1]heptane-2-carboxamide
CID 170059461
trans-(1S,2S)-2-methyl-N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467793

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene?
The IUPAC name of N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene (CID 167467905) is N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene.
What is the SMILES notation for N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene?
The canonical SMILES for N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene is FC(F)(F)c1ccccc1.O=C(Nc1c[nH]c2ccc(OC3CCC3)cc12)C1CC1.
What is the InChIKey of N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene?
The InChIKey is WVFIGXOSULCQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.C7H5F3/c19-16(10-4-5-10)18-15-9-17-14-7-6-12(8-13(14)15)20-11-2-1-3-11;8-7(9,10)6-4-2-1-3-5-6/h6-11,17H,1-5H2,(H,18,19);1-5H.
What are the key properties of N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene?
N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene has a molecular weight of 416.44 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene is sourced from PubChem (CID 167467905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).