N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C22H23F3N2O — CID 162663806

IUPACN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCC12CC(CN1Cc1ccccc1)C2
InChIInChI=1S/C22H23F3N2O/c23-22(24,25)19-8-4-7-17(9-19)10-20(28)26-15-21-11-18(12-21)14-27(21)13-16-5-2-1-3-6-16/h1-9,18H,10-15H2,(H,26,28)
InChIKeyWSFAHXDNUORQLS-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.03
Rot. Bonds6

About N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 162663806) has the molecular formula C22H23F3N2O and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID162663806
Molecular FormulaC22H23F3N2O
Molecular Weight388.43 g/mol
Exact Mass388.18
IUPAC NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCC12CC(CN1Cc1ccccc1)C2
InChIInChI=1S/C22H23F3N2O/c23-22(24,25)19-8-4-7-17(9-19)10-20(28)26-15-21-11-18(12-21)14-27(21)13-16-5-2-1-3-6-16/h1-9,18H,10-15H2,(H,26,28)
InChIKeyWSFAHXDNUORQLS-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(3-trifluoromethyl-phenyl)-acetamide
CID 10249808
1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluoromethyl-phenyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573217
2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4-fluorophenyl)pyrrolidin-3-yl)-N,2-dimethylpropanamide
CID 52946919
3-(3-fluoropropyl)-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
CID 90656834
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-2-(2-(piperidin-1-yl)ethylamino)acetamide
CID 10346048
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-phenyl-2-(2-(piperidin-1-yl)ethylamino)acetamide
CID 10458152
2-[4-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 23594222
2-[3-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 44399492
(R)-N-(2-((1-benzylpyrrolidin-3-yl)amino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 44453592
3-methyl-2-phenyl-N-{(3aS*,4S*,6aR*)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}butanamide
CID 66590937
N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 162663806) is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NCC12CC(CN1Cc1ccccc1)C2.
What is the InChIKey of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WSFAHXDNUORQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O/c23-22(24,25)19-8-4-7-17(9-19)10-20(28)26-15-21-11-18(12-21)14-27(21)13-16-5-2-1-3-6-16/h1-9,18H,10-15H2,(H,26,28).
What are the key properties of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 162663806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).