N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide

C25H17N3O4 — CID 11517437

IUPACN'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O
InChIInChI=1S/C25H17N3O4/c26-14-19-13-18(11-12-21(19)29)24(30)27-28-25(31)23-22(17-9-5-2-6-10-17)20(15-32-23)16-7-3-1-4-8-16/h1-13,15,29H,(H,27,30)(H,28,31)
InChIKeyAMRWDTDBAPJPCG-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.27
Rot. Bonds4

About N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide

N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (PubChem CID 11517437) has the molecular formula C25H17N3O4 and a molecular weight of 423.43 g/mol. Its IUPAC name is N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
PubChem CID11517437
Molecular FormulaC25H17N3O4
Molecular Weight423.43 g/mol
Exact Mass423.12
IUPAC NameN'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O
InChIInChI=1S/C25H17N3O4/c26-14-19-13-18(11-12-21(19)29)24(30)27-28-25(31)23-22(17-9-5-2-6-10-17)20(15-32-23)16-7-3-1-4-8-16/h1-13,15,29H,(H,27,30)(H,28,31)
InChIKeyAMRWDTDBAPJPCG-UHFFFAOYSA-N
XLogP4.27
TPSA115.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-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'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The IUPAC name of N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (CID 11517437) is N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The canonical SMILES for N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O.
What is the InChIKey of N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The InChIKey is AMRWDTDBAPJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O4/c26-14-19-13-18(11-12-21(19)29)24(30)27-28-25(31)23-22(17-9-5-2-6-10-17)20(15-32-23)16-7-3-1-4-8-16/h1-13,15,29H,(H,27,30)(H,28,31).
What are the key properties of N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide has a molecular weight of 423.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is sourced from PubChem (CID 11517437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).