(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide

C14H14FNO — CID 143322990

IUPAC(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide
SMILESC=C/C(=C\C(=C)F)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H14FNO/c1-4-12(9-11(3)15)14(17)16-13-7-5-6-10(2)8-13/h4-9H,1,3H2,2H3,(H,16,17)/b12-9+
InChIKeyAOMOHPKNWWJAPD-FMIVXFBMSA-N
MW231.27 g/mol
LogP3.53
Rot. Bonds4

About (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide

(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide (PubChem CID 143322990) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide
PubChem CID143322990
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide
SMILESC=C/C(=C\C(=C)F)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H14FNO/c1-4-12(9-11(3)15)14(17)16-13-7-5-6-10(2)8-13/h4-9H,1,3H2,2H3,(H,16,17)/b12-9+
InChIKeyAOMOHPKNWWJAPD-FMIVXFBMSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide
CID 177358769
(2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide
CID 177358783
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
N-(3-methylphenyl)acetamide
CID 10843
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
N-(1-chloroethenyl)-3-methylaniline
CID 71411235
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 108515716
2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide
CID 532100

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide?
The IUPAC name of (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide (CID 143322990) is (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide is C=C/C(=C\C(=C)F)C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide?
The InChIKey is AOMOHPKNWWJAPD-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H14FNO/c1-4-12(9-11(3)15)14(17)16-13-7-5-6-10(2)8-13/h4-9H,1,3H2,2H3,(H,16,17)/b12-9+.
What are the key properties of (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide?
(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide has a molecular weight of 231.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide is sourced from PubChem (CID 143322990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).