4-ethenyl-3-fluorobenzamide

C9H8FNO — CID 154814877

IUPAC4-ethenyl-3-fluorobenzamide
SMILESC=Cc1ccc(C(N)=O)cc1F
InChIInChI=1S/C9H8FNO/c1-2-6-3-4-7(9(11)12)5-8(6)10/h2-5H,1H2,(H2,11,12)
InChIKeyNBIHQQWUSDVKMG-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.57
Rot. Bonds2

About 4-ethenyl-3-fluorobenzamide

4-ethenyl-3-fluorobenzamide (PubChem CID 154814877) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 4-ethenyl-3-fluorobenzamide.

Molecular Properties

Compound Name4-ethenyl-3-fluorobenzamide
PubChem CID154814877
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name4-ethenyl-3-fluorobenzamide
SMILESC=Cc1ccc(C(N)=O)cc1F
InChIInChI=1S/C9H8FNO/c1-2-6-3-4-7(9(11)12)5-8(6)10/h2-5H,1H2,(H2,11,12)
InChIKeyNBIHQQWUSDVKMG-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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Related Compounds

4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
CID 154814881
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
2-ethenyl-4-fluorobenzamide
CID 122232501
4-ethenyl-3-fluorobenzaldehyde
CID 88903267
tert-butyl 4-(4-ethenyl-3-fluorophenyl)benzoate
CID 178183636
3-fluoro-4-(2-hydroxyethyl)benzamide
CID 175907153
3-fluoro-4-nitrobenzamide
CID 11423967
3-fluoro-4-nitrobenzamide;urea
CID 162262537
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
3-cyano-4-fluorobenzamide
CID 68505906
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002301

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-fluorobenzamide?
The IUPAC name of 4-ethenyl-3-fluorobenzamide (CID 154814877) is 4-ethenyl-3-fluorobenzamide.
What is the SMILES notation for 4-ethenyl-3-fluorobenzamide?
The canonical SMILES for 4-ethenyl-3-fluorobenzamide is C=Cc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-ethenyl-3-fluorobenzamide?
The InChIKey is NBIHQQWUSDVKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-2-6-3-4-7(9(11)12)5-8(6)10/h2-5H,1H2,(H2,11,12).
What are the key properties of 4-ethenyl-3-fluorobenzamide?
4-ethenyl-3-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 4-ethenyl-3-fluorobenzamide is sourced from PubChem (CID 154814877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).