N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide

C12H8ClFN2O2S — CID 9085435

IUPACN'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C12H8ClFN2O2S/c13-7-3-4-9(14)8(6-7)11(17)15-16-12(18)10-2-1-5-19-10/h1-6H,(H,15,17)(H,16,18)
InChIKeySIARMOOWJKRUAA-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.62
Rot. Bonds2

About N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide

N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide (PubChem CID 9085435) has the molecular formula C12H8ClFN2O2S and a molecular weight of 298.73 g/mol. Its IUPAC name is N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide
PubChem CID9085435
Molecular FormulaC12H8ClFN2O2S
Molecular Weight298.73 g/mol
Exact Mass298.00
IUPAC NameN'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C12H8ClFN2O2S/c13-7-3-4-9(14)8(6-7)11(17)15-16-12(18)10-2-1-5-19-10/h1-6H,(H,15,17)(H,16,18)
InChIKeySIARMOOWJKRUAA-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.62
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'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide (CID 9085435) is N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide is O=C(NNC(=O)c1cc(Cl)ccc1F)c1cccs1.
What is the InChIKey of N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is SIARMOOWJKRUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2S/c13-7-3-4-9(14)8(6-7)11(17)15-16-12(18)10-2-1-5-19-10/h1-6H,(H,15,17)(H,16,18).
What are the key properties of N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide?
N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 298.73 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 9085435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).