2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide

C13H17FN2O3 — CID 82723711

IUPAC2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
SMILESCC(C)(C)ONC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)19-16-11(17)8-15-12(18)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyIWHXIHZIPNBCMA-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.40
Rot. Bonds4

About 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide (PubChem CID 82723711) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
PubChem CID82723711
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
SMILESCC(C)(C)ONC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)19-16-11(17)8-15-12(18)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyIWHXIHZIPNBCMA-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 65110344
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
CID 104889728
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 9277655
2-fluoro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24634581
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide (CID 82723711) is 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide is CC(C)(C)ONC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide?
The InChIKey is IWHXIHZIPNBCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(2,3)19-16-11(17)8-15-12(18)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide has a molecular weight of 268.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 82723711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).