2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide

C14H12FN3O2S — CID 5333639

IUPAC2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)N/N=C/c1cccs1
InChIInChI=1S/C14H12FN3O2S/c15-12-6-2-1-5-11(12)14(20)16-9-13(19)18-17-8-10-4-3-7-21-10/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKeyPGMORYFIUJTODX-CAOOACKPSA-N
MW305.33 g/mol
LogP1.77
Rot. Bonds5

About 2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide

2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide (PubChem CID 5333639) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
PubChem CID5333639
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)N/N=C/c1cccs1
InChIInChI=1S/C14H12FN3O2S/c15-12-6-2-1-5-11(12)14(20)16-9-13(19)18-17-8-10-4-3-7-21-10/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKeyPGMORYFIUJTODX-CAOOACKPSA-N
XLogP1.77
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide (CID 5333639) is 2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccccc1F)N/N=C/c1cccs1.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is PGMORYFIUJTODX-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-12-6-2-1-5-11(12)14(20)16-9-13(19)18-17-8-10-4-3-7-21-10/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+.
What are the key properties of 2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 305.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 5333639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).