[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate

C21H23FN2O2 — CID 138710768

IUPAC[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2
InChIInChI=1S/C21H23FN2O2/c1-24-16-8-9-17(24)13-18(12-16)26-21(25)23-20-10-7-15(22)11-19(20)14-5-3-2-4-6-14/h2-7,10-11,16-18H,8-9,12-13H2,1H3,(H,23,25)/t16-,17+,18?
InChIKeyVMRVZDOCRVNUDB-JWTNVVGKSA-N
MW354.43 g/mol
LogP4.67
Rot. Bonds3

About [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate (PubChem CID 138710768) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
PubChem CID138710768
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2
InChIInChI=1S/C21H23FN2O2/c1-24-16-8-9-17(24)13-18(12-16)26-21(25)23-20-10-7-15(22)11-19(20)14-5-3-2-4-6-14/h2-7,10-11,16-18H,8-9,12-13H2,1H3,(H,23,25)/t16-,17+,18?
InChIKeyVMRVZDOCRVNUDB-JWTNVVGKSA-N
XLogP4.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate?
The IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate (CID 138710768) is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate.
What is the SMILES notation for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate?
The canonical SMILES for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate is CN1[C@@H]2CC[C@H]1CC(OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2.
What is the InChIKey of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate?
The InChIKey is VMRVZDOCRVNUDB-JWTNVVGKSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-24-16-8-9-17(24)13-18(12-16)26-21(25)23-20-10-7-15(22)11-19(20)14-5-3-2-4-6-14/h2-7,10-11,16-18H,8-9,12-13H2,1H3,(H,23,25)/t16-,17+,18?.
What are the key properties of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate?
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate has a molecular weight of 354.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate is sourced from PubChem (CID 138710768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).