2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride

C13H19BrClFN2O2 — CID 119431551

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)C(C)Oc1ccc(F)cc1Br.Cl
InChIInChI=1S/C13H18BrFN2O2.ClH/c1-9(13(18)17-7-3-6-16-2)19-12-5-4-10(15)8-11(12)14;/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18);1H
InChIKeyOTEPOEZVSQGXNK-UHFFFAOYSA-N
MW369.66 g/mol
LogP2.50
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride

2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 119431551) has the molecular formula C13H19BrClFN2O2 and a molecular weight of 369.66 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
PubChem CID119431551
Molecular FormulaC13H19BrClFN2O2
Molecular Weight369.66 g/mol
Exact Mass368.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)C(C)Oc1ccc(F)cc1Br.Cl
InChIInChI=1S/C13H18BrFN2O2.ClH/c1-9(13(18)17-7-3-6-16-2)19-12-5-4-10(15)8-11(12)14;/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18);1H
InChIKeyOTEPOEZVSQGXNK-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 55685733
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119502634
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
CID 81495069
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
2-(2-bromo-4-fluorophenoxy)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 49032045
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride (CID 119431551) is 2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride is CNCCCNC(=O)C(C)Oc1ccc(F)cc1Br.Cl.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is OTEPOEZVSQGXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2.ClH/c1-9(13(18)17-7-3-6-16-2)19-12-5-4-10(15)8-11(12)14;/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 369.66 g/mol, XLogP of 2.50, 7 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-[3-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119431551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).