N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide

C16H17FN2O2 — CID 167468016

IUPACN-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OC3CCC3)cc12)C1(F)CC1
InChIInChI=1S/C16H17FN2O2/c17-16(6-7-16)15(20)19-14-9-18-13-5-4-11(8-12(13)14)21-10-2-1-3-10/h4-5,8-10,18H,1-3,6-7H2,(H,19,20)
InChIKeyXVPHJOKAHAUATB-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.54
Rot. Bonds4

About N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide

N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide (PubChem CID 167468016) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
PubChem CID167468016
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OC3CCC3)cc12)C1(F)CC1
InChIInChI=1S/C16H17FN2O2/c17-16(6-7-16)15(20)19-14-9-18-13-5-4-11(8-12(13)14)21-10-2-1-3-10/h4-5,8-10,18H,1-3,6-7H2,(H,19,20)
InChIKeyXVPHJOKAHAUATB-UHFFFAOYSA-N
XLogP3.54
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
CID 167467905
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
CID 162444906
[(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol
CID 167467875
1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467792
2,2-difluoro-N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467491
N-[5-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]oxy]-1H-indol-3-yl]acetamide
CID 167468115
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide
CID 168986857
N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 168986833
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
CID 168986710
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide
CID 167467458

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide (CID 167468016) is N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide is O=C(Nc1c[nH]c2ccc(OC3CCC3)cc12)C1(F)CC1.
What is the InChIKey of N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide?
The InChIKey is XVPHJOKAHAUATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-16(6-7-16)15(20)19-14-9-18-13-5-4-11(8-12(13)14)21-10-2-1-3-10/h4-5,8-10,18H,1-3,6-7H2,(H,19,20).
What are the key properties of N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide?
N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 3.54, 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)-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 167468016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).