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

C12H9FN2OS — CID 795193

IUPAC3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C12H9FN2OS/c13-10-4-1-3-9(7-10)12(16)15-14-8-11-5-2-6-17-11/h1-8H,(H,15,16)
InChIKeySFFDBDJYJVXBBW-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.65
Rot. Bonds3

About 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide

3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide (PubChem CID 795193) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
PubChem CID795193
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C12H9FN2OS/c13-10-4-1-3-9(7-10)12(16)15-14-8-11-5-2-6-17-11/h1-8H,(H,15,16)
InChIKeySFFDBDJYJVXBBW-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

3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
3-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 774214
N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide
CID 89394302
N-(thiophen-2-ylmethylideneamino)-2,1,3-benzoxadiazole-5-carboxamide
CID 2823035
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46496179
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 86304886
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide?
The IUPAC name of 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide (CID 795193) is 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide?
The canonical SMILES for 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide is O=C(NN=Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide?
The InChIKey is SFFDBDJYJVXBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-10-4-1-3-9(7-10)12(16)15-14-8-11-5-2-6-17-11/h1-8H,(H,15,16).
What are the key properties of 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide?
3-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 3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 795193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).