2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide

C12H16FN3O3 — CID 83047514

IUPAC2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
SMILESCCCC(Oc1cccc(F)c1C(N)=O)C(=O)NN
InChIInChI=1S/C12H16FN3O3/c1-2-4-9(12(18)16-15)19-8-6-3-5-7(13)10(8)11(14)17/h3,5-6,9H,2,4,15H2,1H3,(H2,14,17)(H,16,18)
InChIKeyOKFQCMVEGULGRE-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.46
Rot. Bonds6

About 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide

2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide (PubChem CID 83047514) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide.

Molecular Properties

Compound Name2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
PubChem CID83047514
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
SMILESCCCC(Oc1cccc(F)c1C(N)=O)C(=O)NN
InChIInChI=1S/C12H16FN3O3/c1-2-4-9(12(18)16-15)19-8-6-3-5-7(13)10(8)11(14)17/h3,5-6,9H,2,4,15H2,1H3,(H2,14,17)(H,16,18)
InChIKeyOKFQCMVEGULGRE-UHFFFAOYSA-N
XLogP0.46
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
CID 63571062
2-[2-(2-hydroxyethyl)phenoxy]pentanehydrazide
CID 107714182
2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
CID 104832467
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide
CID 107101957
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
CID 79522229
methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
2-(2,2-diethoxyethoxy)-6-fluorobenzamide
CID 63630436

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide?
The IUPAC name of 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide (CID 83047514) is 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide.
What is the SMILES notation for 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide?
The canonical SMILES for 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide is CCCC(Oc1cccc(F)c1C(N)=O)C(=O)NN.
What is the InChIKey of 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide?
The InChIKey is OKFQCMVEGULGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-2-4-9(12(18)16-15)19-8-6-3-5-7(13)10(8)11(14)17/h3,5-6,9H,2,4,15H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide?
2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide has a molecular weight of 269.28 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide is sourced from PubChem (CID 83047514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).