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

C13H20ClFN2O2 — CID 120830406

IUPAC2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)Oc1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-9(15-3)8-16-13(17)10(2)18-12-7-5-4-6-11(12)14;/h4-7,9-10,15H,8H2,1-3H3,(H,16,17);1H
InChIKeyFRRJLZDFAUUNTB-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.74
Rot. Bonds6

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

2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 120830406) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
PubChem CID120830406
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)Oc1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-9(15-3)8-16-13(17)10(2)18-12-7-5-4-6-11(12)14;/h4-7,9-10,15H,8H2,1-3H3,(H,16,17);1H
InChIKeyFRRJLZDFAUUNTB-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771605
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120826698
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248
5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide
CID 121137500
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride (CID 120830406) is 2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride is CNC(C)CNC(=O)C(C)Oc1ccccc1F.Cl.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is FRRJLZDFAUUNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-9(15-3)8-16-13(17)10(2)18-12-7-5-4-6-11(12)14;/h4-7,9-10,15H,8H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120830406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).