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

C17H24ClFN2O — CID 119459616

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride
SMILESCC(CC(=O)NC1CC2CCC(C1)N2)c1ccccc1F.Cl
InChIInChI=1S/C17H23FN2O.ClH/c1-11(15-4-2-3-5-16(15)18)8-17(21)20-14-9-12-6-7-13(10-14)19-12;/h2-5,11-14,19H,6-10H2,1H3,(H,20,21);1H
InChIKeyKVHOZVLRRLDIST-UHFFFAOYSA-N
MW326.84 g/mol
LogP3.14
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride (PubChem CID 119459616) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride
PubChem CID119459616
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride
SMILESCC(CC(=O)NC1CC2CCC(C1)N2)c1ccccc1F.Cl
InChIInChI=1S/C17H23FN2O.ClH/c1-11(15-4-2-3-5-16(15)18)8-17(21)20-14-9-12-6-7-13(10-14)19-12;/h2-5,11-14,19H,6-10H2,1H3,(H,20,21);1H
InChIKeyKVHOZVLRRLDIST-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-piperidin-4-ylbutanamide
CID 119390456
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide
CID 119459069
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
CID 119455463
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide
CID 119457922
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dimethylpentanamide;hydrochloride
CID 119459568
N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119389907
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
CID 119456660
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119455472
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514786
2-[3-(2-fluorophenyl)butanoylamino]acetic acid
CID 119171648

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride (CID 119459616) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride is CC(CC(=O)NC1CC2CCC(C1)N2)c1ccccc1F.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride?
The InChIKey is KVHOZVLRRLDIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O.ClH/c1-11(15-4-2-3-5-16(15)18)8-17(21)20-14-9-12-6-7-13(10-14)19-12;/h2-5,11-14,19H,6-10H2,1H3,(H,20,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride has a molecular weight of 326.84 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119459616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).