N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide

C15H23FN2O2 — CID 28995533

IUPACN-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
SMILESCCC(C)(C)OCCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O2/c1-4-15(2,3)20-9-5-6-14(19)18-11-7-8-12(16)13(17)10-11/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,19)
InChIKeyUIXACPOPAZIGIX-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.33
Rot. Bonds7

About N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide

N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide (PubChem CID 28995533) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
PubChem CID28995533
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
SMILESCCC(C)(C)OCCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O2/c1-4-15(2,3)20-9-5-6-14(19)18-11-7-8-12(16)13(17)10-11/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,19)
InChIKeyUIXACPOPAZIGIX-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.33
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-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486787
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-4-ethylsulfinylbutanamide
CID 61303441
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
CID 66322803
methyl 2-[3-(3-amino-4-fluoroanilino)-3-oxopropyl]sulfonylacetate
CID 43618130
N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995516
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231993
N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995562

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide (CID 28995533) is N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide is CCC(C)(C)OCCCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide?
The InChIKey is UIXACPOPAZIGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-15(2,3)20-9-5-6-14(19)18-11-7-8-12(16)13(17)10-11/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide?
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide has a molecular weight of 282.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide is sourced from PubChem (CID 28995533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).