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

C13H17FN2O4 — CID 71520628

IUPAC4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESO=C(CCCCCONC(=O)c1ccc(F)cc1)NO
InChIInChI=1S/C13H17FN2O4/c14-11-7-5-10(6-8-11)13(18)16-20-9-3-1-2-4-12(17)15-19/h5-8,19H,1-4,9H2,(H,15,17)(H,16,18)
InChIKeyICARHZMLLYJYGQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.55
Rot. Bonds8

About 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide

4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (PubChem CID 71520628) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
PubChem CID71520628
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESO=C(CCCCCONC(=O)c1ccc(F)cc1)NO
InChIInChI=1S/C13H17FN2O4/c14-11-7-5-10(6-8-11)13(18)16-20-9-3-1-2-4-12(17)15-19/h5-8,19H,1-4,9H2,(H,15,17)(H,16,18)
InChIKeyICARHZMLLYJYGQ-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

Benzohydroxamic acid
CID 10313
Carboxycinnamic Acid Bishydroxamide
CID 5353484
Lmk-235
CID 71520717
N-hydroxy-4-methylbenzamide
CID 426839
Terephthalyldihydroxamic acid
CID 88356
Benzamide, 4-fluoro-
CID 136300
3-fluoro-N-hydroxybenzamide
CID 5082377
3-fluoro-N-hydroxy-4-methylbenzamide
CID 24705374
N-[6-(hydroxyamino)-6-oxo-hexoxy]-3-methyl-benzamide
CID 71520631
N-[6-(hydroxyamino)-6-oxo-hexoxy]-3,4-dimethyl-benzamide
CID 71520716
N-hydroxy-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88345263
4-(Trifluoromethyl)benzohydroxamic acid
CID 589461

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The IUPAC name of 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (CID 71520628) is 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is O=C(CCCCCONC(=O)c1ccc(F)cc1)NO.
What is the InChIKey of 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The InChIKey is ICARHZMLLYJYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c14-11-7-5-10(6-8-11)13(18)16-20-9-3-1-2-4-12(17)15-19/h5-8,19H,1-4,9H2,(H,15,17)(H,16,18).
What are the key properties of 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
4-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 4-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is sourced from PubChem (CID 71520628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).