2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide

C13H18F2N2O2 — CID 63598648

IUPAC2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(F)c(N)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-4-17(5-2)13(18)8(3)19-12-7-9(14)11(16)6-10(12)15/h6-8H,4-5,16H2,1-3H3
InChIKeyWVFQYWPYKUAOFL-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.18
Rot. Bonds5

About 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide

2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide (PubChem CID 63598648) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide
PubChem CID63598648
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(F)c(N)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-4-17(5-2)13(18)8(3)19-12-7-9(14)11(16)6-10(12)15/h6-8H,4-5,16H2,1-3H3
InChIKeyWVFQYWPYKUAOFL-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
CID 63598119
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide
CID 63065663
2-[4-amino-2-(trifluoromethyl)phenoxy]-N,N-diethylpropanamide
CID 61389463
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846
N,N-diethyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]propanamide
CID 63067505
2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide
CID 116540885
2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide
CID 63598467
2-(5-aminoquinolin-8-yl)oxy-N,N-diethylpropanamide
CID 60863149
N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719457
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
CID 107655685
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide (CID 63598648) is 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1cc(F)c(N)cc1F.
What is the InChIKey of 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide?
The InChIKey is WVFQYWPYKUAOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-4-17(5-2)13(18)8(3)19-12-7-9(14)11(16)6-10(12)15/h6-8H,4-5,16H2,1-3H3.
What are the key properties of 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide?
2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide has a molecular weight of 272.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 63598648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).