N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide

C12H17FN2O — CID 28691399

IUPACN-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O/c1-4-12(2,3)11(16)15-10-6-5-8(13)7-9(10)14/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyAZJAOIOBOIRXLH-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.78
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide

N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide (PubChem CID 28691399) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
PubChem CID28691399
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O/c1-4-12(2,3)11(16)15-10-6-5-8(13)7-9(10)14/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyAZJAOIOBOIRXLH-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide
CID 151797393
N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide
CID 28995587
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide
CID 103144437
3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide
CID 115426126
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677323
N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide
CID 89411567
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
2-(2,2-dimethylbutanoylamino)-4,5-difluorobenzoic acid
CID 62867491

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide (CID 28691399) is N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide?
The InChIKey is AZJAOIOBOIRXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-4-12(2,3)11(16)15-10-6-5-8(13)7-9(10)14/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide?
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 28691399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).