N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide

C24H18N2O5 — CID 68864042

IUPACN'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C24H18N2O5/c27-19-12-11-17(13-20(19)28)23(29)25-26-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,27-28H,(H,25,29)(H,26,30)
InChIKeyMFVNDLVZRGKQQW-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.10
Rot. Bonds4

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

N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (PubChem CID 68864042) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
PubChem CID68864042
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC NameN'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C24H18N2O5/c27-19-12-11-17(13-20(19)28)23(29)25-26-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,27-28H,(H,25,29)(H,26,30)
InChIKeyMFVNDLVZRGKQQW-UHFFFAOYSA-N
XLogP4.10
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The IUPAC name of N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (CID 68864042) is N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The canonical SMILES for N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(O)c1.
What is the InChIKey of N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The InChIKey is MFVNDLVZRGKQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c27-19-12-11-17(13-20(19)28)23(29)25-26-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,27-28H,(H,25,29)(H,26,30).
What are the key properties of N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide has a molecular weight of 414.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is sourced from PubChem (CID 68864042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).