N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide

C13H17FN2O3 — CID 127042096

IUPACN-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)
InChIKeyKRGIGLONNZAILB-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.53
Rot. Bonds3

About N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide

N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 127042096) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID127042096
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC NameN-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)
InChIKeyKRGIGLONNZAILB-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127040211
N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127040209
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 127039573
(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-2-phenylacetamide
CID 71455830
2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155524502
methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate
CID 178035855
methyl 2-(2,2-dimethylpropanoylamino)-2-[4-(trifluoromethylsulfonyloxy)phenyl]acetate
CID 178035848
N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 25474927
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029
4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide
CID 123303772
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155564712
(2R)-N-(4-tert-butylphenyl)-2-(4-fluorophenyl)-2-(methylamino)acetamide
CID 125498890

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide (CID 127042096) is N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is KRGIGLONNZAILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(2,3)12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 268.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 127042096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).