3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide

C16H10ClFN2O2S — CID 685144

IUPAC3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1F
InChIInChI=1S/C16H10ClFN2O2S/c17-13-10-6-2-4-8-12(10)23-14(13)16(22)20-19-15(21)9-5-1-3-7-11(9)18/h1-8H,(H,19,21)(H,20,22)
InChIKeyMAGIBUBKOROIRK-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.77
Rot. Bonds2

About 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide

3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide (PubChem CID 685144) has the molecular formula C16H10ClFN2O2S and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide
PubChem CID685144
Molecular FormulaC16H10ClFN2O2S
Molecular Weight348.79 g/mol
Exact Mass348.01
IUPAC Name3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1F
InChIInChI=1S/C16H10ClFN2O2S/c17-13-10-6-2-4-8-12(10)23-14(13)16(22)20-19-15(21)9-5-1-3-7-11(9)18/h1-8H,(H,19,21)(H,20,22)
InChIKeyMAGIBUBKOROIRK-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.77
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 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide (CID 685144) is 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide is O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1F.
What is the InChIKey of 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide?
The InChIKey is MAGIBUBKOROIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2S/c17-13-10-6-2-4-8-12(10)23-14(13)16(22)20-19-15(21)9-5-1-3-7-11(9)18/h1-8H,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide has a molecular weight of 348.79 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2-fluorobenzoyl)-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 685144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).