2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide

C24H27F3N2O — CID 58565901

IUPAC2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CC[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C24H27F3N2O/c1-3-16-15-18(24(25,26)27)9-11-20(16)22(30)28-23(17-7-5-4-6-8-17)14-13-19-10-12-21(23)29(19)2/h4-9,11,15,19,21H,3,10,12-14H2,1-2H3,(H,28,30)/t19-,21+,23+/m0/s1
InChIKeyPEDIVTIIVYKDOT-XKCSPQBFSA-N
MW416.49 g/mol
LogP5.15
Rot. Bonds4

About 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide

2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 58565901) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID58565901
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CC[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C24H27F3N2O/c1-3-16-15-18(24(25,26)27)9-11-20(16)22(30)28-23(17-7-5-4-6-8-17)14-13-19-10-12-21(23)29(19)2/h4-9,11,15,19,21H,3,10,12-14H2,1-2H3,(H,28,30)/t19-,21+,23+/m0/s1
InChIKeyPEDIVTIIVYKDOT-XKCSPQBFSA-N
XLogP5.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide
CID 54767779
2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
CID 54767607
2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 46849256
2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 159401887
2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide
CID 59438409
2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 161143167
2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide
CID 118363703
2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
CID 51001073
8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-ol
CID 58565898
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
1-[2-ethyl-4-(trifluoromethyl)phenyl]-2-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]ethanone
CID 58062989
2-methoxy-6-methylsulfanyl-N-[(1R)-1-phenyl-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]-4-(trifluoromethyl)benzamide
CID 54767266

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide (CID 58565901) is 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide is CCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CC[C@@H]2CC[C@H]1N2C.
What is the InChIKey of 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is PEDIVTIIVYKDOT-XKCSPQBFSA-N. The full InChI is InChI=1S/C24H27F3N2O/c1-3-16-15-18(24(25,26)27)9-11-20(16)22(30)28-23(17-7-5-4-6-8-17)14-13-19-10-12-21(23)29(19)2/h4-9,11,15,19,21H,3,10,12-14H2,1-2H3,(H,28,30)/t19-,21+,23+/m0/s1.
What are the key properties of 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide?
2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 416.49 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 58565901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).