2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide

C12H10ClN3O2S — CID 2808516

IUPAC2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide
SMILESNNC(=O)c1sccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H10ClN3O2S/c13-8-4-2-1-3-7(8)11(17)15-9-5-6-19-10(9)12(18)16-14/h1-6H,14H2,(H,15,17)(H,16,18)
InChIKeyKMZJOIRHRUGKRM-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide

2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide (PubChem CID 2808516) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide
PubChem CID2808516
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide
SMILESNNC(=O)c1sccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H10ClN3O2S/c13-8-4-2-1-3-7(8)11(17)15-9-5-6-19-10(9)12(18)16-14/h1-6H,14H2,(H,15,17)(H,16,18)
InChIKeyKMZJOIRHRUGKRM-UHFFFAOYSA-N
XLogP2.26
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide (CID 2808516) is 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide is NNC(=O)c1sccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide?
The InChIKey is KMZJOIRHRUGKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-8-4-2-1-3-7(8)11(17)15-9-5-6-19-10(9)12(18)16-14/h1-6H,14H2,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide?
2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide has a molecular weight of 295.75 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide is sourced from PubChem (CID 2808516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).