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

C14H21FN2O4 — CID 104560204

IUPACN-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
SMILESCOCCOCCOCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H21FN2O4/c1-19-6-7-21-9-8-20-5-4-14(18)17-11-2-3-12(15)13(16)10-11/h2-3,10H,4-9,16H2,1H3,(H,17,18)
InChIKeyYWVFZAZFHVAHPH-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.42
Rot. Bonds10

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

N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide (PubChem CID 104560204) has the molecular formula C14H21FN2O4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
PubChem CID104560204
Molecular FormulaC14H21FN2O4
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC NameN-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
SMILESCOCCOCCOCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H21FN2O4/c1-19-6-7-21-9-8-20-5-4-14(18)17-11-2-3-12(15)13(16)10-11/h2-3,10H,4-9,16H2,1H3,(H,17,18)
InChIKeyYWVFZAZFHVAHPH-UHFFFAOYSA-N
XLogP1.42
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.42
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)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82955993
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560272
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446249
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-amino-4-ethylphenyl)-3-propoxypropanamide
CID 62688579
methyl 2-[3-(3-amino-4-fluoroanilino)-3-oxopropyl]sulfonylacetate
CID 43618130
N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
CID 102605608

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide (CID 104560204) is N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide is COCCOCCOCCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide?
The InChIKey is YWVFZAZFHVAHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4/c1-19-6-7-21-9-8-20-5-4-14(18)17-11-2-3-12(15)13(16)10-11/h2-3,10H,4-9,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide?
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide has a molecular weight of 300.33 g/mol, XLogP of 1.42, 10 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)-3-[2-(2-methoxyethoxy)ethoxy]propanamide is sourced from PubChem (CID 104560204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).