2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide

C15H18F2N2O — CID 79607934

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1c(F)cccc1F
InChIInChI=1S/C15H18F2N2O/c16-12-2-1-3-13(17)15(12)19-14(20)8-9-6-10-4-5-11(7-9)18-10/h1-3,9-11,18H,4-8H2,(H,19,20)
InChIKeyDZXTZTVLLQOPIZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.82
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide (PubChem CID 79607934) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
PubChem CID79607934
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1c(F)cccc1F
InChIInChI=1S/C15H18F2N2O/c16-12-2-1-3-13(17)15(12)19-14(20)8-9-6-10-4-5-11(7-9)18-10/h1-3,9-11,18H,4-8H2,(H,19,20)
InChIKeyDZXTZTVLLQOPIZ-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide;hydrochloride
CID 119708006
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride
CID 119684592
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 79609586
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-difluorophenyl)propan-2-one
CID 116588445
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4,5-trifluorophenyl)phenyl]acetamide;hydrochloride
CID 119813729
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide (CID 79607934) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide is O=C(CC1CC2CCC(C1)N2)Nc1c(F)cccc1F.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is DZXTZTVLLQOPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-12-2-1-3-13(17)15(12)19-14(20)8-9-6-10-4-5-11(7-9)18-10/h1-3,9-11,18H,4-8H2,(H,19,20).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 79607934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).