2-ethenyl-4-fluorobenzamide

C9H8FNO — CID 122232501

IUPAC2-ethenyl-4-fluorobenzamide
SMILESC=Cc1cc(F)ccc1C(N)=O
InChIInChI=1S/C9H8FNO/c1-2-6-5-7(10)3-4-8(6)9(11)12/h2-5H,1H2,(H2,11,12)
InChIKeyIOERCFBTEDFGFK-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.57
Rot. Bonds2

About 2-ethenyl-4-fluorobenzamide

2-ethenyl-4-fluorobenzamide (PubChem CID 122232501) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-ethenyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-ethenyl-4-fluorobenzamide
PubChem CID122232501
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-ethenyl-4-fluorobenzamide
SMILESC=Cc1cc(F)ccc1C(N)=O
InChIInChI=1S/C9H8FNO/c1-2-6-5-7(10)3-4-8(6)9(11)12/h2-5H,1H2,(H2,11,12)
InChIKeyIOERCFBTEDFGFK-UHFFFAOYSA-N
XLogP1.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-fluorobenzamide?
The IUPAC name of 2-ethenyl-4-fluorobenzamide (CID 122232501) is 2-ethenyl-4-fluorobenzamide.
What is the SMILES notation for 2-ethenyl-4-fluorobenzamide?
The canonical SMILES for 2-ethenyl-4-fluorobenzamide is C=Cc1cc(F)ccc1C(N)=O.
What is the InChIKey of 2-ethenyl-4-fluorobenzamide?
The InChIKey is IOERCFBTEDFGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-2-6-5-7(10)3-4-8(6)9(11)12/h2-5H,1H2,(H2,11,12).
What are the key properties of 2-ethenyl-4-fluorobenzamide?
2-ethenyl-4-fluorobenzamide has a molecular weight of 165.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-fluorobenzamide is sourced from PubChem (CID 122232501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).