2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide

C13H18F2N2O3 — CID 63598467

IUPAC2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cc(F)c(N)cc1F
InChIInChI=1S/C13H18F2N2O3/c1-8(13(18)17-4-3-5-19-2)20-12-7-9(14)11(16)6-10(12)15/h6-8H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyXBNGUEFRXJJSGW-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.47
Rot. Bonds7

About 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide

2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 63598467) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID63598467
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cc(F)c(N)cc1F
InChIInChI=1S/C13H18F2N2O3/c1-8(13(18)17-4-3-5-19-2)20-12-7-9(14)11(16)6-10(12)15/h6-8H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyXBNGUEFRXJJSGW-UHFFFAOYSA-N
XLogP1.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
CID 63598119
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43125633
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 78946961
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
2-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 55163269
2-[4-(aminomethyl)-2-bromophenoxy]-N-(3-methoxypropyl)propanamide
CID 63046345

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide (CID 63598467) is 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1cc(F)c(N)cc1F.
What is the InChIKey of 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is XBNGUEFRXJJSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-8(13(18)17-4-3-5-19-2)20-12-7-9(14)11(16)6-10(12)15/h6-8H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide?
2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 288.29 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 63598467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).