N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide

C25H17N3O5 — CID 11553951

IUPACN'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occc2-c2cccc(Oc3ccccc3)c2)ccc1O
InChIInChI=1S/C25H17N3O5/c26-15-18-13-17(9-10-22(18)29)24(30)27-28-25(31)23-21(11-12-32-23)16-5-4-8-20(14-16)33-19-6-2-1-3-7-19/h1-14,29H,(H,27,30)(H,28,31)
InChIKeyJLMUENVAPSRLIE-UHFFFAOYSA-N
MW439.43 g/mol
LogP4.39
Rot. Bonds5

About N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide

N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide (PubChem CID 11553951) has the molecular formula C25H17N3O5 and a molecular weight of 439.43 g/mol. Its IUPAC name is N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide
PubChem CID11553951
Molecular FormulaC25H17N3O5
Molecular Weight439.43 g/mol
Exact Mass439.12
IUPAC NameN'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occc2-c2cccc(Oc3ccccc3)c2)ccc1O
InChIInChI=1S/C25H17N3O5/c26-15-18-13-17(9-10-22(18)29)24(30)27-28-25(31)23-21(11-12-32-23)16-5-4-8-20(14-16)33-19-6-2-1-3-7-19/h1-14,29H,(H,27,30)(H,28,31)
InChIKeyJLMUENVAPSRLIE-UHFFFAOYSA-N
XLogP4.39
TPSA124.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide (CID 11553951) is N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2occc2-c2cccc(Oc3ccccc3)c2)ccc1O.
What is the InChIKey of N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide?
The InChIKey is JLMUENVAPSRLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O5/c26-15-18-13-17(9-10-22(18)29)24(30)27-28-25(31)23-21(11-12-32-23)16-5-4-8-20(14-16)33-19-6-2-1-3-7-19/h1-14,29H,(H,27,30)(H,28,31).
What are the key properties of N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide?
N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide has a molecular weight of 439.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide is sourced from PubChem (CID 11553951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).