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

C15H19BrClFN2O2 — CID 119457993

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Br)cc1F)NC1CC2CCC(C1)N2
InChIInChI=1S/C15H18BrFN2O2.ClH/c16-9-1-4-14(13(17)5-9)21-8-15(20)19-12-6-10-2-3-11(7-12)18-10;/h1,4-5,10-12,18H,2-3,6-8H2,(H,19,20);1H
InChIKeyBNKBJRXXDPYKIR-UHFFFAOYSA-N
MW393.68 g/mol
LogP2.79
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride (PubChem CID 119457993) has the molecular formula C15H19BrClFN2O2 and a molecular weight of 393.68 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride
PubChem CID119457993
Molecular FormulaC15H19BrClFN2O2
Molecular Weight393.68 g/mol
Exact Mass392.03
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Br)cc1F)NC1CC2CCC(C1)N2
InChIInChI=1S/C15H18BrFN2O2.ClH/c16-9-1-4-14(13(17)5-9)21-8-15(20)19-12-6-10-2-3-11(7-12)18-10;/h1,4-5,10-12,18H,2-3,6-8H2,(H,19,20);1H
InChIKeyBNKBJRXXDPYKIR-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.68
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120601363
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119455158
2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 30776260
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119456429
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119512967
2-(4-bromo-2-fluorophenoxy)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 119637827
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
2-(4-bromo-2-fluorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005157
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride (CID 119457993) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride is Cl.O=C(COc1ccc(Br)cc1F)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride?
The InChIKey is BNKBJRXXDPYKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2.ClH/c16-9-1-4-14(13(17)5-9)21-8-15(20)19-12-6-10-2-3-11(7-12)18-10;/h1,4-5,10-12,18H,2-3,6-8H2,(H,19,20);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride has a molecular weight of 393.68 g/mol, XLogP of 2.79, 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-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119457993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).