2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide

C19H26FN3O2 — CID 648466

IUPAC2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)NC1CC2CCCC(C1)N2CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-13(24)22-16-9-17-3-2-4-18(10-16)23(17)12-19(25)21-11-14-5-7-15(20)8-6-14/h5-8,16-18H,2-4,9-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyCMQKFRXCWMINRL-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.96
Rot. Bonds5

About 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 648466) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID648466
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)NC1CC2CCCC(C1)N2CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-13(24)22-16-9-17-3-2-4-18(10-16)23(17)12-19(25)21-11-14-5-7-15(20)8-6-14/h5-8,16-18H,2-4,9-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyCMQKFRXCWMINRL-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 648466) is 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)NC1CC2CCCC(C1)N2CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is CMQKFRXCWMINRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13(24)22-16-9-17-3-2-4-18(10-16)23(17)12-19(25)21-11-14-5-7-15(20)8-6-14/h5-8,16-18H,2-4,9-12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 347.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 648466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).