N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride

C12H17BrClFN2O2 — CID 120507180

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C12H16BrFN2O2.ClH/c1-7(6-15)16-12(17)8(2)18-11-4-3-9(14)5-10(11)13;/h3-5,7-8H,6,15H2,1-2H3,(H,16,17);1H/t7-,8?;/m0./s1
InChIKeyNDOJPJUHTPWHJE-JPPWUZRISA-N
MW355.64 g/mol
LogP2.24
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride (PubChem CID 120507180) has the molecular formula C12H17BrClFN2O2 and a molecular weight of 355.64 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
PubChem CID120507180
Molecular FormulaC12H17BrClFN2O2
Molecular Weight355.64 g/mol
Exact Mass354.01
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C12H16BrFN2O2.ClH/c1-7(6-15)16-12(17)8(2)18-11-4-3-9(14)5-10(11)13;/h3-5,7-8H,6,15H2,1-2H3,(H,16,17);1H/t7-,8?;/m0./s1
InChIKeyNDOJPJUHTPWHJE-JPPWUZRISA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;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-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119522994
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119570150
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 78873922

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride (CID 120507180) is N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride is CC(Oc1ccc(F)cc1Br)C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride?
The InChIKey is NDOJPJUHTPWHJE-JPPWUZRISA-N. The full InChI is InChI=1S/C12H16BrFN2O2.ClH/c1-7(6-15)16-12(17)8(2)18-11-4-3-9(14)5-10(11)13;/h3-5,7-8H,6,15H2,1-2H3,(H,16,17);1H/t7-,8?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride has a molecular weight of 355.64 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120507180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).