4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide

C15H17F3N2O — CID 138011837

IUPAC4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cc1
InChIInChI=1S/C15H17F3N2O/c1-10-2-4-11(5-3-10)12(21)20-8-13-6-14(13,9-19-7-13)15(16,17)18/h2-5,19H,6-9H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyQNOHFTKJJAWKML-ZIAGYGMSSA-N
MW298.31 g/mol
LogP2.27
Rot. Bonds3

About 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide

4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide (PubChem CID 138011837) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
PubChem CID138011837
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cc1
InChIInChI=1S/C15H17F3N2O/c1-10-2-4-11(5-3-10)12(21)20-8-13-6-14(13,9-19-7-13)15(16,17)18/h2-5,19H,6-9H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyQNOHFTKJJAWKML-ZIAGYGMSSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
CID 138011803
1-(2-methoxyethyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
CID 138011762
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide
CID 138011796
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
3,3,3-trifluoro-2-methyl-2-[(4-methylbenzoyl)amino]propanoic acid
CID 79795388
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide (CID 138011837) is 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide is Cc1ccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cc1.
What is the InChIKey of 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide?
The InChIKey is QNOHFTKJJAWKML-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-10-2-4-11(5-3-10)12(21)20-8-13-6-14(13,9-19-7-13)15(16,17)18/h2-5,19H,6-9H2,1H3,(H,20,21)/t13-,14-/m1/s1.
What are the key properties of 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide?
4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide has a molecular weight of 298.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide is sourced from PubChem (CID 138011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).