4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide

C13H16FN3O — CID 178055839

IUPAC4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide
SMILESC=CN1CCN(c2ccc(C(N)=O)c(F)c2)CC1
InChIInChI=1S/C13H16FN3O/c1-2-16-5-7-17(8-6-16)10-3-4-11(13(15)18)12(14)9-10/h2-4,9H,1,5-8H2,(H2,15,18)
InChIKeyVZUYSJYWNROTKD-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.19
Rot. Bonds3

About 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide

4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide (PubChem CID 178055839) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide
PubChem CID178055839
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide
SMILESC=CN1CCN(c2ccc(C(N)=O)c(F)c2)CC1
InChIInChI=1S/C13H16FN3O/c1-2-16-5-7-17(8-6-16)10-3-4-11(13(15)18)12(14)9-10/h2-4,9H,1,5-8H2,(H2,15,18)
InChIKeyVZUYSJYWNROTKD-UHFFFAOYSA-N
XLogP1.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide
CID 138613100
2-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)benzenecarbothioamide
CID 113295859
2-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzenecarbothioamide
CID 115368294
4-(4-butan-2-ylpiperazin-1-yl)-2-fluorobenzenecarbothioamide
CID 115368269
2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 113295802
2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzenecarbothioamide
CID 115368420
2,4-difluorobenzamide;dihydrochloride
CID 22032026
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-fluorobenzenecarbothioamide
CID 115367814
4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide
CID 146091467
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
2-amino-5-(azepan-1-yl)benzamide
CID 61313055

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide?
The IUPAC name of 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide (CID 178055839) is 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide?
The canonical SMILES for 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide is C=CN1CCN(c2ccc(C(N)=O)c(F)c2)CC1.
What is the InChIKey of 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide?
The InChIKey is VZUYSJYWNROTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-16-5-7-17(8-6-16)10-3-4-11(13(15)18)12(14)9-10/h2-4,9H,1,5-8H2,(H2,15,18).
What are the key properties of 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide?
4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide has a molecular weight of 249.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide is sourced from PubChem (CID 178055839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).