N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide

C13H10ClFN2O2S — CID 4791214

IUPACN'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1c(F)cccc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C13H10ClFN2O2S/c14-9-3-1-4-10(15)8(9)7-12(18)16-17-13(19)11-5-2-6-20-11/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyPIVXZCSCFWSKDQ-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.54
Rot. Bonds3

About N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide

N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide (PubChem CID 4791214) has the molecular formula C13H10ClFN2O2S and a molecular weight of 312.75 g/mol. Its IUPAC name is N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide
PubChem CID4791214
Molecular FormulaC13H10ClFN2O2S
Molecular Weight312.75 g/mol
Exact Mass312.01
IUPAC NameN'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1c(F)cccc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C13H10ClFN2O2S/c14-9-3-1-4-10(15)8(9)7-12(18)16-17-13(19)11-5-2-6-20-11/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyPIVXZCSCFWSKDQ-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.54
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'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide (CID 4791214) is N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide is O=C(Cc1c(F)cccc1Cl)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is PIVXZCSCFWSKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2S/c14-9-3-1-4-10(15)8(9)7-12(18)16-17-13(19)11-5-2-6-20-11/h1-6H,7H2,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 312.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 4791214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).