8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate

C22H23F3N2O3 — CID 90851842

IUPAC8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate
SMILESO=C(Nc1ccccc1-c1cccc(OC(F)(F)F)c1)OCC1CC2CCC(C1)N2
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)30-18-5-3-4-15(12-18)19-6-1-2-7-20(19)27-21(28)29-13-14-10-16-8-9-17(11-14)26-16/h1-7,12,14,16-17,26H,8-11,13H2,(H,27,28)
InChIKeyRLLKGFZUWVVCII-UHFFFAOYSA-N
MW420.43 g/mol
LogP5.33
Rot. Bonds5

About 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate

8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate (PubChem CID 90851842) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate
PubChem CID90851842
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate
SMILESO=C(Nc1ccccc1-c1cccc(OC(F)(F)F)c1)OCC1CC2CCC(C1)N2
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)30-18-5-3-4-15(12-18)19-6-1-2-7-20(19)27-21(28)29-13-14-10-16-8-9-17(11-14)26-16/h1-7,12,14,16-17,26H,8-11,13H2,(H,27,28)
InChIKeyRLLKGFZUWVVCII-UHFFFAOYSA-N
XLogP5.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate
CID 11394093
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-methoxyphenyl)phenyl]carbamate
CID 90693327
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate
CID 11260212
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate
CID 91189456
3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane
CID 66882043
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4,5-trifluorophenyl)phenyl]acetamide;hydrochloride
CID 119813729
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate
CID 11573985
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]methyl N-[2-(3-chlorophenyl)-5-fluorophenyl]carbamate;2,2,2-trifluoroacetate
CID 69316322
pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
CID 163634504
2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134619623
N-methyl-2-[2-[3-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 46212144

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate (CID 90851842) is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate is O=C(Nc1ccccc1-c1cccc(OC(F)(F)F)c1)OCC1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate?
The InChIKey is RLLKGFZUWVVCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)30-18-5-3-4-15(12-18)19-6-1-2-7-20(19)27-21(28)29-13-14-10-16-8-9-17(11-14)26-16/h1-7,12,14,16-17,26H,8-11,13H2,(H,27,28).
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate?
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate has a molecular weight of 420.43 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate is sourced from PubChem (CID 90851842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).