(1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide

C15H19FN2O — CID 67732305

IUPAC(1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCN1[C@H]2CC[C@@H]1[C@H](C(N)=O)[C@@H](c1ccc(F)cc1)C2
InChIInChI=1S/C15H19FN2O/c1-18-11-6-7-13(18)14(15(17)19)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H2,17,19)/t11-,12+,13+,14+/m0/s1
InChIKeyFDASVYQOTZRFDP-REWJHTLYSA-N
MW262.33 g/mol
LogP1.88
Rot. Bonds2

About (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide

(1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 67732305) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
PubChem CID67732305
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCN1[C@H]2CC[C@@H]1[C@H](C(N)=O)[C@@H](c1ccc(F)cc1)C2
InChIInChI=1S/C15H19FN2O/c1-18-11-6-7-13(18)14(15(17)19)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H2,17,19)/t11-,12+,13+,14+/m0/s1
InChIKeyFDASVYQOTZRFDP-REWJHTLYSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide with MolForge

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Related Compounds

1-[(2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone
CID 67843567
(2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 11959456
(1R,2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 18656995
1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone
CID 19006316
methyl (1S,2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 67781854
methyl (1R,2R,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 98094965
(3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 46878025
2-[(2S,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetic acid
CID 68961064
(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 10491526
1-[(1R,2S,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 87679700
(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carbohydrazide
CID 59919631
1-[(2R,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 57219794

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide (CID 67732305) is (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide is CN1[C@H]2CC[C@@H]1[C@H](C(N)=O)[C@@H](c1ccc(F)cc1)C2.
What is the InChIKey of (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is FDASVYQOTZRFDP-REWJHTLYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-18-11-6-7-13(18)14(15(17)19)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H2,17,19)/t11-,12+,13+,14+/m0/s1.
What are the key properties of (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
(1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 67732305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).