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

C12H8F2N2OS — CID 124854267

IUPAC4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(F)s1)c1ccc(F)cc1
InChIInChI=1S/C12H8F2N2OS/c13-9-3-1-8(2-4-9)12(17)16-15-7-10-5-6-11(14)18-10/h1-7H,(H,16,17)/b15-7-
InChIKeyWWJFIBQHGGPVCR-CHHVJCJISA-N
MW266.27 g/mol
LogP2.79
Rot. Bonds3

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

4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide (PubChem CID 124854267) has the molecular formula C12H8F2N2OS and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
PubChem CID124854267
Molecular FormulaC12H8F2N2OS
Molecular Weight266.27 g/mol
Exact Mass266.03
IUPAC Name4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(F)s1)c1ccc(F)cc1
InChIInChI=1S/C12H8F2N2OS/c13-9-3-1-8(2-4-9)12(17)16-15-7-10-5-6-11(14)18-10/h1-7H,(H,16,17)/b15-7-
InChIKeyWWJFIBQHGGPVCR-CHHVJCJISA-N
XLogP2.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.79
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

4-fluoro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 6246125
4-fluoro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]benzamide
CID 40573089
4-[(4-chloropyrazol-1-yl)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 171130855
4-[(4-chloropyrazol-1-yl)methyl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 124849210
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
CID 119055652
4-[(4-fluorobenzoyl)amino]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 86809549
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 119055789
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide (CID 124854267) is 4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(F)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide?
The InChIKey is WWJFIBQHGGPVCR-CHHVJCJISA-N. The full InChI is InChI=1S/C12H8F2N2OS/c13-9-3-1-8(2-4-9)12(17)16-15-7-10-5-6-11(14)18-10/h1-7H,(H,16,17)/b15-7-.
What are the key properties of 4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide?
4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide has a molecular weight of 266.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 124854267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).