N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide

C16H11FN2O3 — CID 2598554

IUPACN'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2o1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O3/c17-12-7-5-10(6-8-12)15(20)18-19-16(21)14-9-11-3-1-2-4-13(11)22-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyDTOVKHVOFUUWNX-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.65
Rot. Bonds2

About N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide

N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide (PubChem CID 2598554) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide
PubChem CID2598554
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC NameN'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2o1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O3/c17-12-7-5-10(6-8-12)15(20)18-19-16(21)14-9-11-3-1-2-4-13(11)22-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyDTOVKHVOFUUWNX-UHFFFAOYSA-N
XLogP2.65
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide (CID 2598554) is N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)c1cc2ccccc2o1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is DTOVKHVOFUUWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-12-7-5-10(6-8-12)15(20)18-19-16(21)14-9-11-3-1-2-4-13(11)22-14/h1-9H,(H,18,20)(H,19,21).
What are the key properties of N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide?
N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 298.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 2598554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).