5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide

C12H11ClN2O3 — CID 726929

IUPAC5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H11ClN2O3/c13-8-1-3-9(4-2-8)17-7-10-5-6-11(18-10)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeyIMHUPMPJPMDKLT-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.12
Rot. Bonds4

About 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide

5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 726929) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide
PubChem CID726929
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H11ClN2O3/c13-8-1-3-9(4-2-8)17-7-10-5-6-11(18-10)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeyIMHUPMPJPMDKLT-UHFFFAOYSA-N
XLogP2.12
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.12
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide (CID 726929) is 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(COc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is IMHUPMPJPMDKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-8-1-3-9(4-2-8)17-7-10-5-6-11(18-10)12(16)15-14/h1-6H,7,14H2,(H,15,16).
What are the key properties of 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide?
5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 266.68 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 726929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).