[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate

C20H21FN2O2 — CID 155157200

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1-c1ccccc1)O[C@H]1CN2CCC1CC2
InChIInChI=1S/C20H21FN2O2/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)22-20(24)25-19-13-23-10-8-15(19)9-11-23/h1-7,12,15,19H,8-11,13H2,(H,22,24)/t19-/m0/s1
InChIKeyLATYFBCANWEEBS-IBGZPJMESA-N
MW340.40 g/mol
LogP4.14
Rot. Bonds3

About [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate (PubChem CID 155157200) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
PubChem CID155157200
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1-c1ccccc1)O[C@H]1CN2CCC1CC2
InChIInChI=1S/C20H21FN2O2/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)22-20(24)25-19-13-23-10-8-15(19)9-11-23/h1-7,12,15,19H,8-11,13H2,(H,22,24)/t19-/m0/s1
InChIKeyLATYFBCANWEEBS-IBGZPJMESA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate (CID 155157200) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate is O=C(Nc1ccc(F)cc1-c1ccccc1)O[C@H]1CN2CCC1CC2.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate?
The InChIKey is LATYFBCANWEEBS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)22-20(24)25-19-13-23-10-8-15(19)9-11-23/h1-7,12,15,19H,8-11,13H2,(H,22,24)/t19-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate has a molecular weight of 340.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate is sourced from PubChem (CID 155157200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).