N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide

C13H19FN2O2 — CID 28995587

IUPACN-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide
SMILESCCC(C)(C)OCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-4-13(2,3)18-8-12(17)16-11-6-5-9(14)7-10(11)15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyTWHAPPWLFYOCHA-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.55
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide

N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide (PubChem CID 28995587) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide
PubChem CID28995587
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide
SMILESCCC(C)(C)OCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-4-13(2,3)18-8-12(17)16-11-6-5-9(14)7-10(11)15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyTWHAPPWLFYOCHA-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231542
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
CID 82004220
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995562
N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-ethoxy-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604524
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide (CID 28995587) is N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide is CCC(C)(C)OCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide?
The InChIKey is TWHAPPWLFYOCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-13(2,3)18-8-12(17)16-11-6-5-9(14)7-10(11)15/h5-7H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide?
N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide has a molecular weight of 254.30 g/mol, XLogP of 2.55, 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)-2-(2-methylbutan-2-yloxy)acetamide is sourced from PubChem (CID 28995587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).