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

C24H17BrN2O4 — CID 68864642

IUPACN'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Br)c1
InChIInChI=1S/C24H17BrN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
InChIKeyZVKCPZAQZVTZAS-UHFFFAOYSA-N
MW477.31 g/mol
LogP5.16
Rot. Bonds4

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

N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (PubChem CID 68864642) has the molecular formula C24H17BrN2O4 and a molecular weight of 477.31 g/mol. Its IUPAC name is N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
PubChem CID68864642
Molecular FormulaC24H17BrN2O4
Molecular Weight477.31 g/mol
Exact Mass476.04
IUPAC NameN'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Br)c1
InChIInChI=1S/C24H17BrN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
InChIKeyZVKCPZAQZVTZAS-UHFFFAOYSA-N
XLogP5.16
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.31
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromobenzoyl)furan-2-carbohydrazide
CID 795641
N'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-3,4-diphenylfuran-2-carbohydrazide
CID 68862614
N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68863912
N'-(4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68862222
3,4-Diphenyl-2-furancarboxylic acid 2-(4-hydroxy-3-methoxybenzoyl)hydrazide
CID 68862226
3,4-Diphenyl-2-furancarboxylic acid 2-(3-fluoro-4-hydroxybenzoyl)hydrazide
CID 68864367
5-bromo-3-methyl-N''-salicyloyl-coumarilohydrazide
CID 18109111
N'-(4-hydroxy-3-phenylbenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68863701
N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68864042
N'-(4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68864244
N'-benzoyl-3,4-diphenylfuran-2-carbohydrazide
CID 118711427
N'-(3-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 118711428

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The IUPAC name of N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (CID 68864642) is N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The canonical SMILES for N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Br)c1.
What is the InChIKey of N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The InChIKey is ZVKCPZAQZVTZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30).
What are the key properties of N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide has a molecular weight of 477.31 g/mol, XLogP of 5.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is sourced from PubChem (CID 68864642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).