4-fluoro-N-pent-4-en-2-ylbenzamide

C12H14FNO — CID 115631330

IUPAC4-fluoro-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO/c1-3-4-9(2)14-12(15)10-5-7-11(13)8-6-10/h3,5-9H,1,4H2,2H3,(H,14,15)
InChIKeyZESFJOAEJZKZPI-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.52
Rot. Bonds4

About 4-fluoro-N-pent-4-en-2-ylbenzamide

4-fluoro-N-pent-4-en-2-ylbenzamide (PubChem CID 115631330) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-fluoro-N-pent-4-en-2-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-pent-4-en-2-ylbenzamide
PubChem CID115631330
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name4-fluoro-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO/c1-3-4-9(2)14-12(15)10-5-7-11(13)8-6-10/h3,5-9H,1,4H2,2H3,(H,14,15)
InChIKeyZESFJOAEJZKZPI-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(4-oxobutan-2-yl)benzamide
CID 58870084
4-fluoro-N-pent-4-en-2-yl-3-sulfanylbenzamide
CID 107035149
3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide
CID 115631311
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
CID 115993829
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
CID 101454749
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600
N-pent-4-en-2-yl-1H-indole-5-carboxamide
CID 113237404
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 8008521

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pent-4-en-2-ylbenzamide?
The IUPAC name of 4-fluoro-N-pent-4-en-2-ylbenzamide (CID 115631330) is 4-fluoro-N-pent-4-en-2-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-pent-4-en-2-ylbenzamide?
The canonical SMILES for 4-fluoro-N-pent-4-en-2-ylbenzamide is C=CCC(C)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-pent-4-en-2-ylbenzamide?
The InChIKey is ZESFJOAEJZKZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-3-4-9(2)14-12(15)10-5-7-11(13)8-6-10/h3,5-9H,1,4H2,2H3,(H,14,15).
What are the key properties of 4-fluoro-N-pent-4-en-2-ylbenzamide?
4-fluoro-N-pent-4-en-2-ylbenzamide has a molecular weight of 207.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pent-4-en-2-ylbenzamide is sourced from PubChem (CID 115631330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).