3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide

C12H10Cl2N2OS — CID 2811338

IUPAC3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide
SMILESCc1cc(Cl)ccc1NNC(=O)c1sccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-7-6-8(13)2-3-10(7)15-16-12(17)11-9(14)4-5-18-11/h2-6,15H,1H3,(H,16,17)
InChIKeyQZOLMPHZKRWIEW-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.12
Rot. Bonds3

About 3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide

3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide (PubChem CID 2811338) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide
PubChem CID2811338
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide
SMILESCc1cc(Cl)ccc1NNC(=O)c1sccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-7-6-8(13)2-3-10(7)15-16-12(17)11-9(14)4-5-18-11/h2-6,15H,1H3,(H,16,17)
InChIKeyQZOLMPHZKRWIEW-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.12
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-chloro-2-methylphenyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide (CID 2811338) is 3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide is Cc1cc(Cl)ccc1NNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide?
The InChIKey is QZOLMPHZKRWIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-7-6-8(13)2-3-10(7)15-16-12(17)11-9(14)4-5-18-11/h2-6,15H,1H3,(H,16,17).
What are the key properties of 3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide?
3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide has a molecular weight of 301.20 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-chloro-2-methylphenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2811338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).