2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride

C13H19BrClFN2O2 — CID 120829559

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)Oc1ccc(F)cc1Br.Cl
InChIInChI=1S/C13H18BrFN2O2.ClH/c1-8(16-3)7-17-13(18)9(2)19-12-5-4-10(15)6-11(12)14;/h4-6,8-9,16H,7H2,1-3H3,(H,17,18);1H
InChIKeyMSHAFKHOQPOBLR-UHFFFAOYSA-N
MW369.66 g/mol
LogP2.50
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride

2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 120829559) has the molecular formula C13H19BrClFN2O2 and a molecular weight of 369.66 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
PubChem CID120829559
Molecular FormulaC13H19BrClFN2O2
Molecular Weight369.66 g/mol
Exact Mass368.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)Oc1ccc(F)cc1Br.Cl
InChIInChI=1S/C13H18BrFN2O2.ClH/c1-8(16-3)7-17-13(18)9(2)19-12-5-4-10(15)6-11(12)14;/h4-6,8-9,16H,7H2,1-3H3,(H,17,18);1H
InChIKeyMSHAFKHOQPOBLR-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.66
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120826698
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 47040606
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 55685733
2-(2-bromo-4-fluorophenoxy)-N-[(5-bromothiophen-2-yl)methyl]propanamide
CID 55690465

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride (CID 120829559) is 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride is CNC(C)CNC(=O)C(C)Oc1ccc(F)cc1Br.Cl.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is MSHAFKHOQPOBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2.ClH/c1-8(16-3)7-17-13(18)9(2)19-12-5-4-10(15)6-11(12)14;/h4-6,8-9,16H,7H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 369.66 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120829559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).