N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide

C20H15N3O4 — CID 2421243

IUPACN'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C20H15N3O4/c21-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)27-13-19(24)22-23-20(25)18-2-1-11-26-18/h1-11H,13H2,(H,22,24)(H,23,25)
InChIKeyMSBDFPJOKIKHMM-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.66
Rot. Bonds5

About N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide

N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide (PubChem CID 2421243) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide
PubChem CID2421243
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C20H15N3O4/c21-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)27-13-19(24)22-23-20(25)18-2-1-11-26-18/h1-11H,13H2,(H,22,24)(H,23,25)
InChIKeyMSBDFPJOKIKHMM-UHFFFAOYSA-N
XLogP2.66
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide (CID 2421243) is N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide is N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide?
The InChIKey is MSBDFPJOKIKHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c21-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)27-13-19(24)22-23-20(25)18-2-1-11-26-18/h1-11H,13H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide?
N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide has a molecular weight of 361.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 2421243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).