N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride

C17H23ClFN3O2 — CID 119702837

IUPACN-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)CC2CC3CCC(C2)N3)ccc1F.Cl
InChIInChI=1S/C17H22FN3O2.ClH/c1-10(22)19-16-9-14(4-5-15(16)18)21-17(23)8-11-6-12-2-3-13(7-11)20-12;/h4-5,9,11-13,20H,2-3,6-8H2,1H3,(H,19,22)(H,21,23);1H
InChIKeyZEUTVFZKVAOQMA-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.07
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride

N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride (PubChem CID 119702837) has the molecular formula C17H23ClFN3O2 and a molecular weight of 355.84 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
PubChem CID119702837
Molecular FormulaC17H23ClFN3O2
Molecular Weight355.84 g/mol
Exact Mass355.15
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)CC2CC3CCC(C2)N3)ccc1F.Cl
InChIInChI=1S/C17H22FN3O2.ClH/c1-10(22)19-16-9-14(4-5-15(16)18)21-17(23)8-11-6-12-2-3-13(7-11)20-12;/h4-5,9,11-13,20H,2-3,6-8H2,1H3,(H,19,22)(H,21,23);1H
InChIKeyZEUTVFZKVAOQMA-UHFFFAOYSA-N
XLogP3.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
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-(3,4,5-trifluorophenyl)acetamide;hydrochloride
CID 119708006
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 119697637
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119772458
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61364257
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
CID 119731535
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119668960

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride (CID 119702837) is N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride is CC(=O)Nc1cc(NC(=O)CC2CC3CCC(C2)N3)ccc1F.Cl.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
The InChIKey is ZEUTVFZKVAOQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2.ClH/c1-10(22)19-16-9-14(4-5-15(16)18)21-17(23)8-11-6-12-2-3-13(7-11)20-12;/h4-5,9,11-13,20H,2-3,6-8H2,1H3,(H,19,22)(H,21,23);1H.
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride has a molecular weight of 355.84 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119702837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).