3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide

C13H8ClF3N2O2S — CID 22147888

IUPAC3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8ClF3N2O2S/c14-9-5-6-22-10(9)12(21)19-18-11(20)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,18,20)(H,19,21)
InChIKeyWZHVRUCIKUEYLO-UHFFFAOYSA-N
MW348.73 g/mol
LogP3.50
Rot. Bonds2

About 3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide

3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide (PubChem CID 22147888) has the molecular formula C13H8ClF3N2O2S and a molecular weight of 348.73 g/mol. Its IUPAC name is 3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
PubChem CID22147888
Molecular FormulaC13H8ClF3N2O2S
Molecular Weight348.73 g/mol
Exact Mass347.99
IUPAC Name3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8ClF3N2O2S/c14-9-5-6-22-10(9)12(21)19-18-11(20)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,18,20)(H,19,21)
InChIKeyWZHVRUCIKUEYLO-UHFFFAOYSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.73
LogP ≤ 53.50
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'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide (CID 22147888) is 3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide is O=C(NNC(=O)c1sccc1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
The InChIKey is WZHVRUCIKUEYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2S/c14-9-5-6-22-10(9)12(21)19-18-11(20)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,18,20)(H,19,21).
What are the key properties of 3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide has a molecular weight of 348.73 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 22147888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).