N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide

C14H21FN2O4 — CID 104560272

IUPACN-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
SMILESCOCCOCCOC(C)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H21FN2O4/c1-10(21-8-7-20-6-5-19-2)14(18)17-11-3-4-12(15)13(16)9-11/h3-4,9-10H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyZZMIQBAICGOFES-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.41
Rot. Bonds9

About N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide

N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide (PubChem CID 104560272) has the molecular formula C14H21FN2O4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
PubChem CID104560272
Molecular FormulaC14H21FN2O4
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC NameN-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
SMILESCOCCOCCOC(C)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H21FN2O4/c1-10(21-8-7-20-6-5-19-2)14(18)17-11-3-4-12(15)13(16)9-11/h3-4,9-10H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyZZMIQBAICGOFES-UHFFFAOYSA-N
XLogP1.41
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.41
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-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide
CID 61289045
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176751
N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560223
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(3-amino-4-fluorophenyl)-2-butan-2-ylsulfanylpropanamide
CID 43188452
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-[3-amino-4-(pentachloro-λ6-sulfanyl)phenyl]-2-propoxypropanamide
CID 143714220
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446249
N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide
CID 54936288

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide (CID 104560272) is N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide is COCCOCCOC(C)C(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide?
The InChIKey is ZZMIQBAICGOFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4/c1-10(21-8-7-20-6-5-19-2)14(18)17-11-3-4-12(15)13(16)9-11/h3-4,9-10H,5-8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide?
N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide has a molecular weight of 300.33 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide is sourced from PubChem (CID 104560272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).