2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide

C13H16FN3O4 — CID 63568919

IUPAC2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
SMILESNNC(=O)C1CCC(COc2cccc(F)c2C(N)=O)O1
InChIInChI=1S/C13H16FN3O4/c14-8-2-1-3-9(11(8)12(15)18)20-6-7-4-5-10(21-7)13(19)17-16/h1-3,7,10H,4-6,16H2,(H2,15,18)(H,17,19)
InChIKeyZGFZRQLLCAEVNT-UHFFFAOYSA-N
MW297.29 g/mol
LogP-0.16
Rot. Bonds5

About 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide

2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide (PubChem CID 63568919) has the molecular formula C13H16FN3O4 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
PubChem CID63568919
Molecular FormulaC13H16FN3O4
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC Name2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
SMILESNNC(=O)C1CCC(COc2cccc(F)c2C(N)=O)O1
InChIInChI=1S/C13H16FN3O4/c14-8-2-1-3-9(11(8)12(15)18)20-6-7-4-5-10(21-7)13(19)17-16/h1-3,7,10H,4-6,16H2,(H2,15,18)(H,17,19)
InChIKeyZGFZRQLLCAEVNT-UHFFFAOYSA-N
XLogP-0.16
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
CID 63937604
5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299212
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
2-[[2-(aminomethyl)cyclopentyl]methoxy]-6-fluorobenzamide
CID 79522743
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63574989
5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63570861

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide?
The IUPAC name of 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide (CID 63568919) is 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide is NNC(=O)C1CCC(COc2cccc(F)c2C(N)=O)O1.
What is the InChIKey of 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide?
The InChIKey is ZGFZRQLLCAEVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4/c14-8-2-1-3-9(11(8)12(15)18)20-6-7-4-5-10(21-7)13(19)17-16/h1-3,7,10H,4-6,16H2,(H2,15,18)(H,17,19).
What are the key properties of 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide?
2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide has a molecular weight of 297.29 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 63568919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).