N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide

C16H17ClN2O4 — CID 9468212

IUPACN'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1ccc(Cl)c(OCC(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H17ClN2O4/c1-9-4-5-13(17)14(6-9)22-8-15(20)18-19-16(21)12-7-10(2)23-11(12)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJPJQWZATMRAKBC-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.70
Rot. Bonds4

About N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9468212) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9468212
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC NameN'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1ccc(Cl)c(OCC(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H17ClN2O4/c1-9-4-5-13(17)14(6-9)22-8-15(20)18-19-16(21)12-7-10(2)23-11(12)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJPJQWZATMRAKBC-UHFFFAOYSA-N
XLogP2.70
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-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

N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
N'-[2-(2,5-dichlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 24563273
N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 55332060
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277080
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 9276630
2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160697
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 55376169
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide (CID 9468212) is N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1ccc(Cl)c(OCC(=O)NNC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is JPJQWZATMRAKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-9-4-5-13(17)14(6-9)22-8-15(20)18-19-16(21)12-7-10(2)23-11(12)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 336.78 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9468212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).