N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide

C16H18F4N2O — CID 99850405

IUPACN-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@H](C1)N2
InChIInChI=1S/C16H18F4N2O/c1-22(14-7-12-2-3-13(8-14)21-12)15(23)9-4-10(16(18,19)20)6-11(17)5-9/h4-6,12-14,21H,2-3,7-8H2,1H3/t12-,13-/m1/s1
InChIKeyLAYDXDAZCGIREI-CHWSQXEVSA-N
MW330.33 g/mol
LogP3.20
Rot. Bonds2

About N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide

N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide (PubChem CID 99850405) has the molecular formula C16H18F4N2O and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
PubChem CID99850405
Molecular FormulaC16H18F4N2O
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC NameN-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@H](C1)N2
InChIInChI=1S/C16H18F4N2O/c1-22(14-7-12-2-3-13(8-14)21-12)15(23)9-4-10(16(18,19)20)6-11(17)5-9/h4-6,12-14,21H,2-3,7-8H2,1H3/t12-,13-/m1/s1
InChIKeyLAYDXDAZCGIREI-CHWSQXEVSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-4-fluoro-N-methylbenzamide
CID 100657836
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82879416
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 61232203
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide
CID 115760408
N-[3-(4-fluorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87629375
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-6-fluoro-N-methylbenzamide
CID 114560175
N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
3-[[3-fluoro-5-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
CID 119362318
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide
CID 61230667

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide (CID 99850405) is N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide is CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@H](C1)N2.
What is the InChIKey of N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is LAYDXDAZCGIREI-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H18F4N2O/c1-22(14-7-12-2-3-13(8-14)21-12)15(23)9-4-10(16(18,19)20)6-11(17)5-9/h4-6,12-14,21H,2-3,7-8H2,1H3/t12-,13-/m1/s1.
What are the key properties of N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide?
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 330.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 99850405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).