5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide

C12H10Cl2N2O3 — CID 63575027

IUPAC5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H10Cl2N2O3/c13-9-2-1-3-10(11(9)14)19-6-8-4-7(5-18-8)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyAKZKNIKPLLXAOG-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.77
Rot. Bonds4

About 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide

5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide (PubChem CID 63575027) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
PubChem CID63575027
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H10Cl2N2O3/c13-9-2-1-3-10(11(9)14)19-6-8-4-7(5-18-8)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyAKZKNIKPLLXAOG-UHFFFAOYSA-N
XLogP2.77
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.77
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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Related Compounds

5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 107719018
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
5-[(2,3-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574357
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580476
5-[(5-chloro-2-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63569482
5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide
CID 63575736
5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
CID 107693712
5-[(2-bromo-6-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 81496877
5-(phenylmethoxymethyl)furan-3-carbohydrazide
CID 55213199
2-[4-[(2,3-dichlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351465
5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
CID 107101927
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide (CID 63575027) is 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(COc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is AKZKNIKPLLXAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c13-9-2-1-3-10(11(9)14)19-6-8-4-7(5-18-8)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide?
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 301.13 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63575027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).