4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide

C14H15N3O4 — CID 63575000

IUPAC4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
SMILESCc1oc(C(=O)NN)cc1COc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H15N3O4/c1-8-10(6-12(21-8)14(19)17-16)7-20-11-4-2-9(3-5-11)13(15)18/h2-6H,7,16H2,1H3,(H2,15,18)(H,17,19)
InChIKeyZHXXKKBZDLPYOC-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.87
Rot. Bonds5

About 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide

4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide (PubChem CID 63575000) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
PubChem CID63575000
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
SMILESCc1oc(C(=O)NN)cc1COc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H15N3O4/c1-8-10(6-12(21-8)14(19)17-16)7-20-11-4-2-9(3-5-11)13(15)18/h2-6H,7,16H2,1H3,(H2,15,18)(H,17,19)
InChIKeyZHXXKKBZDLPYOC-UHFFFAOYSA-N
XLogP0.87
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.87
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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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide?
The IUPAC name of 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide (CID 63575000) is 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide.
What is the SMILES notation for 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide?
The canonical SMILES for 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide is Cc1oc(C(=O)NN)cc1COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide?
The InChIKey is ZHXXKKBZDLPYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-10(6-12(21-8)14(19)17-16)7-20-11-4-2-9(3-5-11)13(15)18/h2-6H,7,16H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide?
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide has a molecular weight of 289.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide is sourced from PubChem (CID 63575000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).