8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate

C22H25FN2O2 — CID 11260212

IUPAC8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate
SMILESCc1ccc(-c2ccccc2F)c(NC(=O)OCC2CC3CCC(C2)N3)c1
InChIInChI=1S/C22H25FN2O2/c1-14-6-9-19(18-4-2-3-5-20(18)23)21(10-14)25-22(26)27-13-15-11-16-7-8-17(12-15)24-16/h2-6,9-10,15-17,24H,7-8,11-13H2,1H3,(H,25,26)
InChIKeyVIEJSQCSCZHUKL-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.88
Rot. Bonds4

About 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate

8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate (PubChem CID 11260212) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate
PubChem CID11260212
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate
SMILESCc1ccc(-c2ccccc2F)c(NC(=O)OCC2CC3CCC(C2)N3)c1
InChIInChI=1S/C22H25FN2O2/c1-14-6-9-19(18-4-2-3-5-20(18)23)21(10-14)25-22(26)27-13-15-11-16-7-8-17(12-15)24-16/h2-6,9-10,15-17,24H,7-8,11-13H2,1H3,(H,25,26)
InChIKeyVIEJSQCSCZHUKL-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate with MolForge

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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
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-[2-(4-phenylphenyl)phenyl]carbamate
CID 69311024
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate
CID 91189456
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate
CID 90851842
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(2-methyl-6-thiophen-3-ylphenyl)carbamate
CID 11573985
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
9H-fluoren-9-ylmethyl N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171951138
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4,5-trifluorophenyl)phenyl]acetamide;hydrochloride
CID 119813729
chloromethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 164652670
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
CID 79607934
9H-fluoren-9-ylmethyl N-(9-azabicyclo[3.3.1]nonan-3-ylmethyl)carbamate
CID 171951173

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate (CID 11260212) is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate is Cc1ccc(-c2ccccc2F)c(NC(=O)OCC2CC3CCC(C2)N3)c1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate?
The InChIKey is VIEJSQCSCZHUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-14-6-9-19(18-4-2-3-5-20(18)23)21(10-14)25-22(26)27-13-15-11-16-7-8-17(12-15)24-16/h2-6,9-10,15-17,24H,7-8,11-13H2,1H3,(H,25,26).
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate?
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate has a molecular weight of 368.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-(2-fluorophenyl)-5-methylphenyl]carbamate is sourced from PubChem (CID 11260212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).