N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide

C25H20N2O5 — CID 68862226

IUPACN'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O
InChIInChI=1S/C25H20N2O5/c1-31-21-14-18(12-13-20(21)28)24(29)26-27-25(30)23-22(17-10-6-3-7-11-17)19(15-32-23)16-8-4-2-5-9-16/h2-15,28H,1H3,(H,26,29)(H,27,30)
InChIKeyWRJKILCSUXIMOP-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.40
Rot. Bonds5

About N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide

N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (PubChem CID 68862226) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
PubChem CID68862226
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC NameN'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O
InChIInChI=1S/C25H20N2O5/c1-31-21-14-18(12-13-20(21)28)24(29)26-27-25(30)23-22(17-10-6-3-7-11-17)19(15-32-23)16-8-4-2-5-9-16/h2-15,28H,1H3,(H,26,29)(H,27,30)
InChIKeyWRJKILCSUXIMOP-UHFFFAOYSA-N
XLogP4.40
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The IUPAC name of N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (CID 68862226) is N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The canonical SMILES for N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is COc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O.
What is the InChIKey of N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The InChIKey is WRJKILCSUXIMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-31-21-14-18(12-13-20(21)28)24(29)26-27-25(30)23-22(17-10-6-3-7-11-17)19(15-32-23)16-8-4-2-5-9-16/h2-15,28H,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide has a molecular weight of 428.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is sourced from PubChem (CID 68862226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).