2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide

C23H19F5N2O2 — CID 167467491

IUPAC2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OC3CC(c4ccc(C(F)(F)F)cc4)C3)cc12)C1CC1(F)F
InChIInChI=1S/C23H19F5N2O2/c24-22(25)10-18(22)21(31)30-20-11-29-19-6-5-15(9-17(19)20)32-16-7-13(8-16)12-1-3-14(4-2-12)23(26,27)28/h1-6,9,11,13,16,18,29H,7-8,10H2,(H,30,31)
InChIKeyDCAQMGXTJLEXHT-UHFFFAOYSA-N
MW450.41 g/mol
LogP6.11
Rot. Bonds5

About 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide

2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide (PubChem CID 167467491) has the molecular formula C23H19F5N2O2 and a molecular weight of 450.41 g/mol. Its IUPAC name is 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
PubChem CID167467491
Molecular FormulaC23H19F5N2O2
Molecular Weight450.41 g/mol
Exact Mass450.14
IUPAC Name2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OC3CC(c4ccc(C(F)(F)F)cc4)C3)cc12)C1CC1(F)F
InChIInChI=1S/C23H19F5N2O2/c24-22(25)10-18(22)21(31)30-20-11-29-19-6-5-15(9-17(19)20)32-16-7-13(8-16)12-1-3-14(4-2-12)23(26,27)28/h1-6,9,11,13,16,18,29H,7-8,10H2,(H,30,31)
InChIKeyDCAQMGXTJLEXHT-UHFFFAOYSA-N
XLogP6.11
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.41
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 168986833
N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
CID 167467905
1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467792
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
CID 168986710
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
4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059611
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
(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
N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
CID 167468016

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide (CID 167467491) is 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1c[nH]c2ccc(OC3CC(c4ccc(C(F)(F)F)cc4)C3)cc12)C1CC1(F)F.
What is the InChIKey of 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is DCAQMGXTJLEXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N2O2/c24-22(25)10-18(22)21(31)30-20-11-29-19-6-5-15(9-17(19)20)32-16-7-13(8-16)12-1-3-14(4-2-12)23(26,27)28/h1-6,9,11,13,16,18,29H,7-8,10H2,(H,30,31).
What are the key properties of 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 450.41 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167467491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).