N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide

C25H19FN2O4 — CID 141073286

IUPACN'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(CF)c1
InChIInChI=1S/C25H19FN2O4/c26-14-19-13-18(11-12-21(19)29)24(30)27-28-25(31)23-22(17-9-5-2-6-10-17)20(15-32-23)16-7-3-1-4-8-16/h1-13,15,29H,14H2,(H,27,30)(H,28,31)
InChIKeyDQEUJARCJGKWJC-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.86
Rot. Bonds5

About N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide

N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide (PubChem CID 141073286) has the molecular formula C25H19FN2O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide
PubChem CID141073286
Molecular FormulaC25H19FN2O4
Molecular Weight430.44 g/mol
Exact Mass430.13
IUPAC NameN'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(CF)c1
InChIInChI=1S/C25H19FN2O4/c26-14-19-13-18(11-12-21(19)29)24(30)27-28-25(31)23-22(17-9-5-2-6-10-17)20(15-32-23)16-7-3-1-4-8-16/h1-13,15,29H,14H2,(H,27,30)(H,28,31)
InChIKeyDQEUJARCJGKWJC-UHFFFAOYSA-N
XLogP4.86
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.86
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide?
The IUPAC name of N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide (CID 141073286) is N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide.
What is the SMILES notation for N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide?
The canonical SMILES for N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide is O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(CF)c1.
What is the InChIKey of N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide?
The InChIKey is DQEUJARCJGKWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4/c26-14-19-13-18(11-12-21(19)29)24(30)27-28-25(31)23-22(17-9-5-2-6-10-17)20(15-32-23)16-7-3-1-4-8-16/h1-13,15,29H,14H2,(H,27,30)(H,28,31).
What are the key properties of N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide?
N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide has a molecular weight of 430.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide is sourced from PubChem (CID 141073286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).