3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide

C21H17F5N2O2 — CID 167468164

IUPAC3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12)C1CC(F)(F)C1
InChIInChI=1S/C21H17F5N2O2/c22-20(23)8-13(9-20)19(29)28-18-10-27-17-6-5-15(7-16(17)18)30-11-12-1-3-14(4-2-12)21(24,25)26/h1-7,10,13,27H,8-9,11H2,(H,28,29)
InChIKeyFSYZFYHSVSZRNO-UHFFFAOYSA-N
MW424.37 g/mol
LogP5.75
Rot. Bonds5

About 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide

3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide (PubChem CID 167468164) has the molecular formula C21H17F5N2O2 and a molecular weight of 424.37 g/mol. Its IUPAC name is 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
PubChem CID167468164
Molecular FormulaC21H17F5N2O2
Molecular Weight424.37 g/mol
Exact Mass424.12
IUPAC Name3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12)C1CC(F)(F)C1
InChIInChI=1S/C21H17F5N2O2/c22-20(23)8-13(9-20)19(29)28-18-10-27-17-6-5-15(7-16(17)18)30-11-12-1-3-14(4-2-12)21(24,25)26/h1-7,10,13,27H,8-9,11H2,(H,28,29)
InChIKeyFSYZFYHSVSZRNO-UHFFFAOYSA-N
XLogP5.75
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
CID 168986710
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
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
1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167467668
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
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
CID 168986863
(2R)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059439
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
N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
CID 167467905

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide (CID 167468164) is 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide is O=C(Nc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide?
The InChIKey is FSYZFYHSVSZRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N2O2/c22-20(23)8-13(9-20)19(29)28-18-10-27-17-6-5-15(7-16(17)18)30-11-12-1-3-14(4-2-12)21(24,25)26/h1-7,10,13,27H,8-9,11H2,(H,28,29).
What are the key properties of 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide has a molecular weight of 424.37 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 167468164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).