N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide

C13H19FN2O4 — CID 104560278

IUPACN-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
SMILESCOCCOCCOCC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O4/c1-18-4-5-19-6-7-20-9-13(17)16-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyQASAFLVUURPYDJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.03
Rot. Bonds9

About N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide

N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide (PubChem CID 104560278) has the molecular formula C13H19FN2O4 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
PubChem CID104560278
Molecular FormulaC13H19FN2O4
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
SMILESCOCCOCCOCC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O4/c1-18-4-5-19-6-7-20-9-13(17)16-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyQASAFLVUURPYDJ-UHFFFAOYSA-N
XLogP1.03
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2-amino-5-fluorophenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 43612006
4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 43358600
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231542
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide (CID 104560278) is N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide is COCCOCCOCC(=O)Nc1cc(F)ccc1N.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide?
The InChIKey is QASAFLVUURPYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4/c1-18-4-5-19-6-7-20-9-13(17)16-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide?
N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide has a molecular weight of 286.30 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide is sourced from PubChem (CID 104560278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).