5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide

C13H14ClN3OS — CID 62247405

IUPAC5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCCc1cccs1
InChIInChI=1S/C13H14ClN3OS/c14-9-3-4-12(17-15)11(8-9)13(18)16-6-5-10-2-1-7-19-10/h1-4,7-8,17H,5-6,15H2,(H,16,18)
InChIKeyHQMYPFZHLFZYLR-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.66
Rot. Bonds5

About 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide

5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 62247405) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID62247405
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCCc1cccs1
InChIInChI=1S/C13H14ClN3OS/c14-9-3-4-12(17-15)11(8-9)13(18)16-6-5-10-2-1-7-19-10/h1-4,7-8,17H,5-6,15H2,(H,16,18)
InChIKeyHQMYPFZHLFZYLR-UHFFFAOYSA-N
XLogP2.66
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
5-chloro-N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzamide
CID 62242599
4-hydrazinyl-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81256558
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide (CID 62247405) is 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide is NNc1ccc(Cl)cc1C(=O)NCCc1cccs1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is HQMYPFZHLFZYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c14-9-3-4-12(17-15)11(8-9)13(18)16-6-5-10-2-1-7-19-10/h1-4,7-8,17H,5-6,15H2,(H,16,18).
What are the key properties of 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide?
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 295.80 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 62247405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).