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

C13H13ClN2O3 — CID 55212421

IUPAC4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COc1ccccc1Cl
InChIInChI=1S/C13H13ClN2O3/c1-8-9(6-12(19-8)13(17)16-15)7-18-11-5-3-2-4-10(11)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyCTHPDWCWKIGWFU-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.42
Rot. Bonds4

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

4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 55212421) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID55212421
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COc1ccccc1Cl
InChIInChI=1S/C13H13ClN2O3/c1-8-9(6-12(19-8)13(17)16-15)7-18-11-5-3-2-4-10(11)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyCTHPDWCWKIGWFU-UHFFFAOYSA-N
XLogP2.42
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.42
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'}

Analyze 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63586474
5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63574464
5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63574456
4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63575453
4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 102724819
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
4-[(2-iodophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62275317
5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
CID 63570213
5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide
CID 77002080
4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63568934

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide (CID 55212421) is 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1COc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is CTHPDWCWKIGWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-9(6-12(19-8)13(17)16-15)7-18-11-5-3-2-4-10(11)14/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide?
4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 280.71 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 55212421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).