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

C13H13N3O4 — CID 63575860

IUPAC3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
SMILESNNC(=O)c1ccc(COc2cccc(C(N)=O)c2)o1
InChIInChI=1S/C13H13N3O4/c14-12(17)8-2-1-3-9(6-8)19-7-10-4-5-11(20-10)13(18)16-15/h1-6H,7,15H2,(H2,14,17)(H,16,18)
InChIKeyQRJCVIOEXXFMMZ-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.56
Rot. Bonds5

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

3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide (PubChem CID 63575860) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
PubChem CID63575860
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
SMILESNNC(=O)c1ccc(COc2cccc(C(N)=O)c2)o1
InChIInChI=1S/C13H13N3O4/c14-12(17)8-2-1-3-9(6-8)19-7-10-4-5-11(20-10)13(18)16-15/h1-6H,7,15H2,(H2,14,17)(H,16,18)
InChIKeyQRJCVIOEXXFMMZ-UHFFFAOYSA-N
XLogP0.56
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.56
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

N-[3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63574857
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 8623746
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]benzamide
CID 106908853
5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid
CID 117097680
3-[(4-nitrophenyl)methoxy]benzamide
CID 18354598
5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43477198
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide?
The IUPAC name of 3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide (CID 63575860) is 3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide.
What is the SMILES notation for 3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide?
The canonical SMILES for 3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide is NNC(=O)c1ccc(COc2cccc(C(N)=O)c2)o1.
What is the InChIKey of 3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide?
The InChIKey is QRJCVIOEXXFMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c14-12(17)8-2-1-3-9(6-8)19-7-10-4-5-11(20-10)13(18)16-15/h1-6H,7,15H2,(H2,14,17)(H,16,18).
What are the key properties of 3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide?
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide has a molecular weight of 275.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide is sourced from PubChem (CID 63575860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).