3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

C15H16FN3OS — CID 62843049

IUPAC3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESNNc1c(F)cccc1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C15H16FN3OS/c16-11-4-1-3-10(14(11)19-17)15(20)18-12-5-2-6-13-9(12)7-8-21-13/h1,3-4,7-8,12,19H,2,5-6,17H2,(H,18,20)
InChIKeyOJLWWEQHQHNPPF-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.98
Rot. Bonds3

About 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (PubChem CID 62843049) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
PubChem CID62843049
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESNNc1c(F)cccc1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C15H16FN3OS/c16-11-4-1-3-10(14(11)19-17)15(20)18-12-5-2-6-13-9(12)7-8-21-13/h1,3-4,7-8,12,19H,2,5-6,17H2,(H,18,20)
InChIKeyOJLWWEQHQHNPPF-UHFFFAOYSA-N
XLogP2.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (CID 62843049) is 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is NNc1c(F)cccc1C(=O)NC1CCCc2sccc21.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The InChIKey is OJLWWEQHQHNPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-11-4-1-3-10(14(11)19-17)15(20)18-12-5-2-6-13-9(12)7-8-21-13/h1,3-4,7-8,12,19H,2,5-6,17H2,(H,18,20).
What are the key properties of 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is sourced from PubChem (CID 62843049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).