N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide

C12H15FN2O3 — CID 88900130

IUPACN-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(Oc2cc(F)ccc2NO)C1
InChIInChI=1S/C12H15FN2O3/c1-7(16)14-9-5-10(6-9)18-12-4-8(13)2-3-11(12)15-17/h2-4,9-10,15,17H,5-6H2,1H3,(H,14,16)
InChIKeyUHZUSXCHQBFHFN-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.67
Rot. Bonds4

About N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide

N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide (PubChem CID 88900130) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide
PubChem CID88900130
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(Oc2cc(F)ccc2NO)C1
InChIInChI=1S/C12H15FN2O3/c1-7(16)14-9-5-10(6-9)18-12-4-8(13)2-3-11(12)15-17/h2-4,9-10,15,17H,5-6H2,1H3,(H,14,16)
InChIKeyUHZUSXCHQBFHFN-UHFFFAOYSA-N
XLogP1.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide?
The IUPAC name of N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide (CID 88900130) is N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide is CC(=O)NC1CC(Oc2cc(F)ccc2NO)C1.
What is the InChIKey of N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide?
The InChIKey is UHZUSXCHQBFHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-7(16)14-9-5-10(6-9)18-12-4-8(13)2-3-11(12)15-17/h2-4,9-10,15,17H,5-6H2,1H3,(H,14,16).
What are the key properties of N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide?
N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide has a molecular weight of 254.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide is sourced from PubChem (CID 88900130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).