2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide

C18H13FN2OS — CID 90077957

IUPAC2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(F)s1
InChIInChI=1S/C18H13FN2OS/c19-17-11-10-14(23-17)12-20-16-9-5-4-8-15(16)18(22)21-13-6-2-1-3-7-13/h1-12H,(H,21,22)/b20-12+
InChIKeyVODUTPXFFFZLCK-UDWIEESQSA-N
MW324.38 g/mol
LogP4.89
Rot. Bonds4

About 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide

2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide (PubChem CID 90077957) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide
PubChem CID90077957
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(F)s1
InChIInChI=1S/C18H13FN2OS/c19-17-11-10-14(23-17)12-20-16-9-5-4-8-15(16)18(22)21-13-6-2-1-3-7-13/h1-12H,(H,21,22)/b20-12+
InChIKeyVODUTPXFFFZLCK-UDWIEESQSA-N
XLogP4.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide?
The IUPAC name of 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide (CID 90077957) is 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide?
The canonical SMILES for 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(F)s1.
What is the InChIKey of 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide?
The InChIKey is VODUTPXFFFZLCK-UDWIEESQSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-17-11-10-14(23-17)12-20-16-9-5-4-8-15(16)18(22)21-13-6-2-1-3-7-13/h1-12H,(H,21,22)/b20-12+.
What are the key properties of 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide?
2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluorothiophen-2-yl)methylideneamino]-N-phenylbenzamide is sourced from PubChem (CID 90077957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).