3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide

C13H19FN2O2 — CID 120831531

IUPAC3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCOc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-10(15-2)9-16-13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyIWMKPVNFEWGRDP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.32
Rot. Bonds7

About 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide

3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide (PubChem CID 120831531) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
PubChem CID120831531
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCOc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-10(15-2)9-16-13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyIWMKPVNFEWGRDP-UHFFFAOYSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
N-[2-(methylamino)propyl]-3-(2-phenylphenoxy)propanamide
CID 120832016
5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 82009038
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
4-[3-(2-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 80538101
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide (CID 120831531) is 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide is CNC(C)CNC(=O)CCOc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide?
The InChIKey is IWMKPVNFEWGRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10(15-2)9-16-13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide?
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide has a molecular weight of 254.30 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120831531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).