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

C10H12FN3O3 — CID 63571062

IUPAC2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
SMILESCC(Oc1cccc(F)c1C(N)=O)C(=O)NN
InChIInChI=1S/C10H12FN3O3/c1-5(10(16)14-13)17-7-4-2-3-6(11)8(7)9(12)15/h2-5H,13H2,1H3,(H2,12,15)(H,14,16)
InChIKeyFNWCFVDCBFAONL-UHFFFAOYSA-N
MW241.22 g/mol
LogP-0.32
Rot. Bonds4

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

2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide (PubChem CID 63571062) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide.

Molecular Properties

Compound Name2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
PubChem CID63571062
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
SMILESCC(Oc1cccc(F)c1C(N)=O)C(=O)NN
InChIInChI=1S/C10H12FN3O3/c1-5(10(16)14-13)17-7-4-2-3-6(11)8(7)9(12)15/h2-5H,13H2,1H3,(H2,12,15)(H,14,16)
InChIKeyFNWCFVDCBFAONL-UHFFFAOYSA-N
XLogP-0.32
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.32
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-(3-oxobutan-2-yloxy)benzamide
CID 62032914
2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
CID 83047514
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
2-(2-carbamothioyl-3-fluorophenoxy)propanamide
CID 43609505
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
2-fluoro-6-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107013997
2-(2,6-dimethoxyphenoxy)propanehydrazide
CID 63575102
methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
2-fluoro-6-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 107013925
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide
CID 43609423
2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide
CID 99842144

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide?
The IUPAC name of 2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide (CID 63571062) is 2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide.
What is the SMILES notation for 2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide?
The canonical SMILES for 2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide is CC(Oc1cccc(F)c1C(N)=O)C(=O)NN.
What is the InChIKey of 2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide?
The InChIKey is FNWCFVDCBFAONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-5(10(16)14-13)17-7-4-2-3-6(11)8(7)9(12)15/h2-5H,13H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of 2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide?
2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide has a molecular weight of 241.22 g/mol, XLogP of -0.32, 4 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-oxopropan-2-yl)oxybenzamide is sourced from PubChem (CID 63571062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).