(1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide

C14H17FN2O — CID 98779497

IUPAC(1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1[C@H]2CC[C@H]1CNC2
InChIInChI=1S/C14H17FN2O/c15-11-2-1-3-12(6-11)17-14(18)13-9-4-5-10(13)8-16-7-9/h1-3,6,9-10,13,16H,4-5,7-8H2,(H,17,18)/t9-,10-/m0/s1
InChIKeyJQCUGXFFWMSVLO-UWVGGRQHSA-N
MW248.30 g/mol
LogP2.01
Rot. Bonds2

About (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide

(1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 98779497) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID98779497
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1[C@H]2CC[C@H]1CNC2
InChIInChI=1S/C14H17FN2O/c15-11-2-1-3-12(6-11)17-14(18)13-9-4-5-10(13)8-16-7-9/h1-3,6,9-10,13,16H,4-5,7-8H2,(H,17,18)/t9-,10-/m0/s1
InChIKeyJQCUGXFFWMSVLO-UWVGGRQHSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluorophenyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17379130
1-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-(3-fluorophenyl)urea
CID 61150447
N-(3-fluorophenyl)piperazine-2-carboxamide
CID 63103446
(1R,2R,3R,4R)-3-[(3-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 6359767
N-(3-fluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890291
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
(1R,2R,3R,4S)-3-[(3-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 2166755
(1R,2S,3S,4S)-3-[(3-fluorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11881903
(1S,2R,3S,4R)-3-[(3-fluorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 50903457
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 119298680
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide (CID 98779497) is (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1cccc(F)c1)C1[C@H]2CC[C@H]1CNC2.
What is the InChIKey of (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is JQCUGXFFWMSVLO-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-11-2-1-3-12(6-11)17-14(18)13-9-4-5-10(13)8-16-7-9/h1-3,6,9-10,13,16H,4-5,7-8H2,(H,17,18)/t9-,10-/m0/s1.
What are the key properties of (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide?
(1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 248.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 98779497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).