N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide

C13H18FNO2 — CID 121440051

IUPACN-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-4-13(2,3)12(16)15(17)9-10-5-7-11(14)8-6-10/h5-8,17H,4,9H2,1-3H3
InChIKeyGLWGFZKXQJABNT-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.98
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide

N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide (PubChem CID 121440051) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
PubChem CID121440051
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-4-13(2,3)12(16)15(17)9-10-5-7-11(14)8-6-10/h5-8,17H,4,9H2,1-3H3
InChIKeyGLWGFZKXQJABNT-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide (CID 121440051) is N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N(O)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The InChIKey is GLWGFZKXQJABNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-13(2,3)12(16)15(17)9-10-5-7-11(14)8-6-10/h5-8,17H,4,9H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide has a molecular weight of 239.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 121440051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).