N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide

C18H23F3N2O — CID 73149338

IUPACN-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCC1CN2CCC1CC2CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O/c1-2-12-11-23-8-7-14(12)9-16(23)10-22-17(24)13-3-5-15(6-4-13)18(19,20)21/h3-6,12,14,16H,2,7-11H2,1H3,(H,22,24)
InChIKeyKLMHSZDBXYZWAK-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.56
Rot. Bonds4

About N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide

N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 73149338) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID73149338
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCC1CN2CCC1CC2CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O/c1-2-12-11-23-8-7-14(12)9-16(23)10-22-17(24)13-3-5-15(6-4-13)18(19,20)21/h3-6,12,14,16H,2,7-11H2,1H3,(H,22,24)
InChIKeyKLMHSZDBXYZWAK-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
(1-Isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone
CID 10359235
N-[(6-fluoro-3'-{[(3S)-3-methyl-1-piperazinyl]methyl}-3-biphenylyl)methyl]-3-(4-piperidinylmethyl)benzamide
CID 11504490
(4-Cyclobutylpiperazin-1-yl)-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methanone
CID 59218190
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 16196020
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 877392
4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 4784804
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methylbenzamide
CID 14783864
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-fluorobenzamide hydrochloride
CID 14783877
(2-Fluoro-phenyl)-piperazin-1-yl-methanone
CID 544862
3-(3-aza-6-azoniaspiro[5.5]undecan-3-ylmethyl)-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide iodide
CID 45266460

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide (CID 73149338) is N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide is CCC1CN2CCC1CC2CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is KLMHSZDBXYZWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-2-12-11-23-8-7-14(12)9-16(23)10-22-17(24)13-3-5-15(6-4-13)18(19,20)21/h3-6,12,14,16H,2,7-11H2,1H3,(H,22,24).
What are the key properties of N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 340.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 73149338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).