N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride

C16H21BrClFN2O2 — CID 119457092

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H20BrFN2O2.ClH/c1-9(22-15-5-2-10(18)6-14(15)17)16(21)20-13-7-11-3-4-12(8-13)19-11;/h2,5-6,9,11-13,19H,3-4,7-8H2,1H3,(H,20,21);1H
InChIKeyPIXJMADXDUASFJ-UHFFFAOYSA-N
MW407.71 g/mol
LogP3.18
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride (PubChem CID 119457092) has the molecular formula C16H21BrClFN2O2 and a molecular weight of 407.71 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
PubChem CID119457092
Molecular FormulaC16H21BrClFN2O2
Molecular Weight407.71 g/mol
Exact Mass406.05
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H20BrFN2O2.ClH/c1-9(22-15-5-2-10(18)6-14(15)17)16(21)20-13-7-11-3-4-12(8-13)19-11;/h2,5-6,9,11-13,19H,3-4,7-8H2,1H3,(H,20,21);1H
InChIKeyPIXJMADXDUASFJ-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.71
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride with MolForge

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
cis-(1S,3R)-3-[2-(2-bromo-4-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675875
(2R)-2-(2-bromo-4-fluorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 8728717
2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42990445
ethyl 4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]piperidine-1-carboxylate
CID 55562209
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenoxy)propanamide
CID 62229825
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535504
2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78872855

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride (CID 119457092) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride is CC(Oc1ccc(F)cc1Br)C(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride?
The InChIKey is PIXJMADXDUASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O2.ClH/c1-9(22-15-5-2-10(18)6-14(15)17)16(21)20-13-7-11-3-4-12(8-13)19-11;/h2,5-6,9,11-13,19H,3-4,7-8H2,1H3,(H,20,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride has a molecular weight of 407.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119457092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).