N-(2-amino-4-fluorophenyl)-4-methoxybutanamide

C11H15FN2O2 — CID 16785231

IUPACN-(2-amino-4-fluorophenyl)-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O2/c1-16-6-2-3-11(15)14-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyVXXLLWNWAQMYFV-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.77
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-4-methoxybutanamide

N-(2-amino-4-fluorophenyl)-4-methoxybutanamide (PubChem CID 16785231) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-methoxybutanamide
PubChem CID16785231
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(2-amino-4-fluorophenyl)-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O2/c1-16-6-2-3-11(15)14-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyVXXLLWNWAQMYFV-UHFFFAOYSA-N
XLogP1.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
CID 61288656
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
CID 28995195
N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446239
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-methoxybutanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-methoxybutanamide (CID 16785231) is N-(2-amino-4-fluorophenyl)-4-methoxybutanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-methoxybutanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-methoxybutanamide is COCCCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-methoxybutanamide?
The InChIKey is VXXLLWNWAQMYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-16-6-2-3-11(15)14-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-methoxybutanamide?
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide has a molecular weight of 226.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-methoxybutanamide is sourced from PubChem (CID 16785231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).