2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide

C12H9FN2OS — CID 5108019

IUPAC2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccs1)c1ccccc1F
InChIInChI=1S/C12H9FN2OS/c13-11-6-2-1-5-10(11)12(16)15-14-8-9-4-3-7-17-9/h1-8H,(H,15,16)
InChIKeyUAAFHMVQCDDOPM-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.65
Rot. Bonds3

About 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide

2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide (PubChem CID 5108019) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
PubChem CID5108019
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccs1)c1ccccc1F
InChIInChI=1S/C12H9FN2OS/c13-11-6-2-1-5-10(11)12(16)15-14-8-9-4-3-7-17-9/h1-8H,(H,15,16)
InChIKeyUAAFHMVQCDDOPM-UHFFFAOYSA-N
XLogP2.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
CID 1484943
2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5394670
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139
8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide
CID 127048344
3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193
N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide
CID 5157104
2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4931437
2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 3895307
2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
CID 75087531
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide?
The IUPAC name of 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide (CID 5108019) is 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide?
The canonical SMILES for 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide is O=C(NN=Cc1cccs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide?
The InChIKey is UAAFHMVQCDDOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-11-6-2-1-5-10(11)12(16)15-14-8-9-4-3-7-17-9/h1-8H,(H,15,16).
What are the key properties of 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide?
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide has a molecular weight of 248.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 5108019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).