N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide

C15H20FN3O2 — CID 66391278

IUPACN-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCC(C(=O)Nc1cc(N)ccc1F)N1CC2CCC(C1)O2
InChIInChI=1S/C15H20FN3O2/c1-9(19-7-11-3-4-12(8-19)21-11)15(20)18-14-6-10(17)2-5-13(14)16/h2,5-6,9,11-12H,3-4,7-8,17H2,1H3,(H,18,20)
InChIKeyDQUYGLWTEZVGPR-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.60
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide

N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide (PubChem CID 66391278) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
PubChem CID66391278
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCC(C(=O)Nc1cc(N)ccc1F)N1CC2CCC(C1)O2
InChIInChI=1S/C15H20FN3O2/c1-9(19-7-11-3-4-12(8-19)21-11)15(20)18-14-6-10(17)2-5-13(14)16/h2,5-6,9,11-12H,3-4,7-8,17H2,1H3,(H,18,20)
InChIKeyDQUYGLWTEZVGPR-UHFFFAOYSA-N
XLogP1.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
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CID 138519541
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N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide (CID 66391278) is N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide is CC(C(=O)Nc1cc(N)ccc1F)N1CC2CCC(C1)O2.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The InChIKey is DQUYGLWTEZVGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-9(19-7-11-3-4-12(8-19)21-11)15(20)18-14-6-10(17)2-5-13(14)16/h2,5-6,9,11-12H,3-4,7-8,17H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide has a molecular weight of 293.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide is sourced from PubChem (CID 66391278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).