4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide

C14H17F3N2O3 — CID 123303772

IUPAC4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide
SMILESCC(C)(C)C(=O)NC(c1ccc(C(=O)NO)cc1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O3/c1-13(2,3)12(21)18-10(14(15,16)17)8-4-6-9(7-5-8)11(20)19-22/h4-7,10,22H,1-3H3,(H,18,21)(H,19,20)
InChIKeyDGKIYVCGPHYRAR-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.57
Rot. Bonds3

About 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide

4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide (PubChem CID 123303772) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide
PubChem CID123303772
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide
SMILESCC(C)(C)C(=O)NC(c1ccc(C(=O)NO)cc1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O3/c1-13(2,3)12(21)18-10(14(15,16)17)8-4-6-9(7-5-8)11(20)19-22/h4-7,10,22H,1-3H3,(H,18,21)(H,19,20)
InChIKeyDGKIYVCGPHYRAR-UHFFFAOYSA-N
XLogP2.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.57
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

4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide
CID 90417363
4-[1-(cyclohexanecarbonylamino)-2,2-dimethylpropyl]-N-hydroxybenzamide
CID 58417470
N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 58417460
4-methylsulfonyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]benzamide
CID 52652803
2,2,2-trifluoro-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 122703321
N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127042096
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide
CID 87384322
4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
CID 86970963
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
CID 58417381
4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide
CID 165486423
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide
CID 123395547

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide (CID 123303772) is 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide is CC(C)(C)C(=O)NC(c1ccc(C(=O)NO)cc1)C(F)(F)F.
What is the InChIKey of 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide?
The InChIKey is DGKIYVCGPHYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-13(2,3)12(21)18-10(14(15,16)17)8-4-6-9(7-5-8)11(20)19-22/h4-7,10,22H,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide?
4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide has a molecular weight of 318.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide is sourced from PubChem (CID 123303772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).