N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide

C21H19F3N2O2 — CID 156601640

IUPACN-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
SMILESO=C(NC1CC2CC1CN2C(=O)c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)17-9-5-4-8-16(17)20(28)26-12-14-10-15(26)11-18(14)25-19(27)13-6-2-1-3-7-13/h1-9,14-15,18H,10-12H2,(H,25,27)
InChIKeyYDZOBOKFPRDZSD-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.74
Rot. Bonds3

About N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide

N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide (PubChem CID 156601640) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
PubChem CID156601640
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
SMILESO=C(NC1CC2CC1CN2C(=O)c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)17-9-5-4-8-16(17)20(28)26-12-14-10-15(26)11-18(14)25-19(27)13-6-2-1-3-7-13/h1-9,14-15,18H,10-12H2,(H,25,27)
InChIKeyYDZOBOKFPRDZSD-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
Teijin-lead_cmp_5
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N-(N-benzylpiperidin-4-yl)-2-fluorobenzamide
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CID 14783862
4-fluoro-N-[[(2S)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]benzamide
CID 56683775
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CID 801556
N-(8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-3-fluoro-benzamide
CID 3217171
1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-benzamidopiperidine
CID 215909
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 489814

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide (CID 156601640) is N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide is O=C(NC1CC2CC1CN2C(=O)c1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
The InChIKey is YDZOBOKFPRDZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-21(23,24)17-9-5-4-8-16(17)20(28)26-12-14-10-15(26)11-18(14)25-19(27)13-6-2-1-3-7-13/h1-9,14-15,18H,10-12H2,(H,25,27).
What are the key properties of N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide has a molecular weight of 388.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide is sourced from PubChem (CID 156601640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).