2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide

C13H17FN2O4 — CID 90681615

IUPAC2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESO=C(CCCCCONC(=O)c1ccccc1F)NO
InChIInChI=1S/C13H17FN2O4/c14-11-7-4-3-6-10(11)13(18)16-20-9-5-1-2-8-12(17)15-19/h3-4,6-7,19H,1-2,5,8-9H2,(H,15,17)(H,16,18)
InChIKeyANZVMWCZDGBOFF-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.55
Rot. Bonds8

About 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide

2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (PubChem CID 90681615) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
PubChem CID90681615
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESO=C(CCCCCONC(=O)c1ccccc1F)NO
InChIInChI=1S/C13H17FN2O4/c14-11-7-4-3-6-10(11)13(18)16-20-9-5-1-2-8-12(17)15-19/h3-4,6-7,19H,1-2,5,8-9H2,(H,15,17)(H,16,18)
InChIKeyANZVMWCZDGBOFF-UHFFFAOYSA-N
XLogP1.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 71520627
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
2-fluoro-N-[2-(methylamino)-2-oxoethoxy]benzamide
CID 110495597
4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681613
N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide
CID 90681607
N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
CID 2491312
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 87127603
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The IUPAC name of 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (CID 90681615) is 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The canonical SMILES for 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is O=C(CCCCCONC(=O)c1ccccc1F)NO.
What is the InChIKey of 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The InChIKey is ANZVMWCZDGBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c14-11-7-4-3-6-10(11)13(18)16-20-9-5-1-2-8-12(17)15-19/h3-4,6-7,19H,1-2,5,8-9H2,(H,15,17)(H,16,18).
What are the key properties of 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide has a molecular weight of 284.29 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is sourced from PubChem (CID 90681615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).