N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide

C15H23FN2O3 — CID 28995195

IUPACN-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
SMILESCCCCOCCOCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H23FN2O3/c1-2-3-7-20-9-10-21-8-6-15(19)18-14-5-4-12(16)11-13(14)17/h4-5,11H,2-3,6-10,17H2,1H3,(H,18,19)
InChIKeyUBKGWEYAFYTUFT-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.57
Rot. Bonds10

About N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide

N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide (PubChem CID 28995195) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
PubChem CID28995195
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC NameN-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
SMILESCCCCOCCOCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H23FN2O3/c1-2-3-7-20-9-10-21-8-6-15(19)18-14-5-4-12(16)11-13(14)17/h4-5,11H,2-3,6-10,17H2,1H3,(H,18,19)
InChIKeyUBKGWEYAFYTUFT-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.57
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

N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
CID 43615939
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide (CID 28995195) is N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide is CCCCOCCOCCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide?
The InChIKey is UBKGWEYAFYTUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-2-3-7-20-9-10-21-8-6-15(19)18-14-5-4-12(16)11-13(14)17/h4-5,11H,2-3,6-10,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide?
N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide has a molecular weight of 298.36 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide is sourced from PubChem (CID 28995195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).