[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate

C21H22F2N2O2 — CID 54585743

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C21H22F2N2O2/c22-17-4-1-3-15(11-17)13-25(19-6-2-5-18(23)12-19)21(26)27-20-14-24-9-7-16(20)8-10-24/h1-6,11-12,16,20H,7-10,13-14H2/t20-/m0/s1
InChIKeyURDXFKMXLZZTRI-FQEVSTJZSA-N
MW372.41 g/mol
LogP4.20
Rot. Bonds4

About [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate (PubChem CID 54585743) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.41 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate
PubChem CID54585743
Molecular FormulaC21H22F2N2O2
Molecular Weight372.41 g/mol
Exact Mass372.16
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C21H22F2N2O2/c22-17-4-1-3-15(11-17)13-25(19-6-2-5-18(23)12-19)21(26)27-20-14-24-9-7-16(20)8-10-24/h1-6,11-12,16,20H,7-10,13-14H2/t20-/m0/s1
InChIKeyURDXFKMXLZZTRI-FQEVSTJZSA-N
XLogP4.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate with MolForge

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Related Compounds

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1-azabicyclo[2.2.2]oct-3-yl N-(2-fluorophenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate (CID 54585743) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate is O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate?
The InChIKey is URDXFKMXLZZTRI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c22-17-4-1-3-15(11-17)13-25(19-6-2-5-18(23)12-19)21(26)27-20-14-24-9-7-16(20)8-10-24/h1-6,11-12,16,20H,7-10,13-14H2/t20-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate has a molecular weight of 372.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 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-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 54585743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).