4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide

C16H11FN2OS2 — CID 40573089

IUPAC4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(-c2cccs2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS2/c17-12-5-3-11(4-6-12)16(20)19-18-10-13-7-8-15(22-13)14-2-1-9-21-14/h1-10H,(H,19,20)/b18-10-
InChIKeyZRAFKEZJBSTABJ-ZDLGFXPLSA-N
MW330.41 g/mol
LogP4.38
Rot. Bonds4

About 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide

4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 40573089) has the molecular formula C16H11FN2OS2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
PubChem CID40573089
Molecular FormulaC16H11FN2OS2
Molecular Weight330.41 g/mol
Exact Mass330.03
IUPAC Name4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(-c2cccs2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS2/c17-12-5-3-11(4-6-12)16(20)19-18-10-13-7-8-15(22-13)14-2-1-9-21-14/h1-10H,(H,19,20)/b18-10-
InChIKeyZRAFKEZJBSTABJ-ZDLGFXPLSA-N
XLogP4.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
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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Related Compounds

4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 124854267
2-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
CID 3629107
4-fluoro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 6246125
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193
4-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzoic acid
CID 2842969
4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6180975
1-phenyl-3-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]thiourea
CID 46217219
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 5335033
4-[(4-fluorobenzoyl)amino]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 86809549

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide (CID 40573089) is 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(-c2cccs2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is ZRAFKEZJBSTABJ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H11FN2OS2/c17-12-5-3-11(4-6-12)16(20)19-18-10-13-7-8-15(22-13)14-2-1-9-21-14/h1-10H,(H,19,20)/b18-10-.
What are the key properties of 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide?
4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 330.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 40573089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).