N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide

C25H15F2N3O4 — CID 68861297

IUPACN'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(-c3ccc(F)cc3)c2-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C25H15F2N3O4/c26-18-6-1-14(2-7-18)20-13-34-23(22(20)15-3-8-19(27)9-4-15)25(33)30-29-24(32)16-5-10-21(31)17(11-16)12-28/h1-11,13,31H,(H,29,32)(H,30,33)
InChIKeyVEENRIVZTCSEGR-UHFFFAOYSA-N
MW459.41 g/mol
LogP4.54
Rot. Bonds4

About N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide

N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide (PubChem CID 68861297) has the molecular formula C25H15F2N3O4 and a molecular weight of 459.41 g/mol. Its IUPAC name is N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide
PubChem CID68861297
Molecular FormulaC25H15F2N3O4
Molecular Weight459.41 g/mol
Exact Mass459.10
IUPAC NameN'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(-c3ccc(F)cc3)c2-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C25H15F2N3O4/c26-18-6-1-14(2-7-18)20-13-34-23(22(20)15-3-8-19(27)9-4-15)25(33)30-29-24(32)16-5-10-21(31)17(11-16)12-28/h1-11,13,31H,(H,29,32)(H,30,33)
InChIKeyVEENRIVZTCSEGR-UHFFFAOYSA-N
XLogP4.54
TPSA115.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.41
LogP ≤ 54.54
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'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide (CID 68861297) is N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2occ(-c3ccc(F)cc3)c2-c2ccc(F)cc2)ccc1O.
What is the InChIKey of N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide?
The InChIKey is VEENRIVZTCSEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F2N3O4/c26-18-6-1-14(2-7-18)20-13-34-23(22(20)15-3-8-19(27)9-4-15)25(33)30-29-24(32)16-5-10-21(31)17(11-16)12-28/h1-11,13,31H,(H,29,32)(H,30,33).
What are the key properties of N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide?
N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide has a molecular weight of 459.41 g/mol, XLogP of 4.54, 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-bis(4-fluorophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 68861297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).