4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide

C17H17F6NO2 — CID 175704864

IUPAC4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide
SMILESO=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F6NO2/c18-16(19,20)14-5-8-15(9-6-14,10-7-14)24-13(25)11-1-3-12(4-2-11)26-17(21,22)23/h1-4H,5-10H2,(H,24,25)
InChIKeyLIXVMHYICLLLCB-UHFFFAOYSA-N
MW381.32 g/mol
LogP4.97
Rot. Bonds3

About 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide

4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide (PubChem CID 175704864) has the molecular formula C17H17F6NO2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide.

Molecular Properties

Compound Name4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide
PubChem CID175704864
Molecular FormulaC17H17F6NO2
Molecular Weight381.32 g/mol
Exact Mass381.12
IUPAC Name4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide
SMILESO=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F6NO2/c18-16(19,20)14-5-8-15(9-6-14,10-7-14)24-13(25)11-1-3-12(4-2-11)26-17(21,22)23/h1-4H,5-10H2,(H,24,25)
InChIKeyLIXVMHYICLLLCB-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride
CID 120567149
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide
CID 116629058
CID 59303798
CID 59303798
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
CID 95986148
N'-phenyl-4-(trifluoromethoxy)benzohydrazide
CID 78774950
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide?
The IUPAC name of 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide (CID 175704864) is 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide.
What is the SMILES notation for 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide?
The canonical SMILES for 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide is O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide?
The InChIKey is LIXVMHYICLLLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6NO2/c18-16(19,20)14-5-8-15(9-6-14,10-7-14)24-13(25)11-1-3-12(4-2-11)26-17(21,22)23/h1-4H,5-10H2,(H,24,25).
What are the key properties of 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide?
4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide has a molecular weight of 381.32 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide is sourced from PubChem (CID 175704864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).