N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide

C16H18FNO — CID 101469138

IUPACN-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide
SMILESC=CCCC(=C)C(=O)Nc1ccc(F)cc1CC=C
InChIInChI=1S/C16H18FNO/c1-4-6-8-12(3)16(19)18-15-10-9-14(17)11-13(15)7-5-2/h4-5,9-11H,1-3,6-8H2,(H,18,19)
InChIKeyNKHOBTBMYLPMHY-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.02
Rot. Bonds7

About N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide

N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide (PubChem CID 101469138) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide.

Molecular Properties

Compound NameN-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide
PubChem CID101469138
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide
SMILESC=CCCC(=C)C(=O)Nc1ccc(F)cc1CC=C
InChIInChI=1S/C16H18FNO/c1-4-6-8-12(3)16(19)18-15-10-9-14(17)11-13(15)7-5-2/h4-5,9-11H,1-3,6-8H2,(H,18,19)
InChIKeyNKHOBTBMYLPMHY-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N,2-bis(prop-2-enyl)aniline
CID 45141264
N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
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N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide
CID 47148094
N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
(4-fluoro-2-prop-2-enylphenyl)methanol
CID 118307113
2-(4-fluoro-2-prop-2-enylanilino)-2-(trifluoromethyl)-3H-pyridine-4-carboxylic acid
CID 170438026
N-(4-chloro-2-fluorophenyl)pent-4-enamide
CID 155976880
methyl 5-(4-fluoro-2-prop-2-enylanilino)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 170612072
N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 52644992
2-(but-3-enoxymethyl)-4-fluorobenzoic acid
CID 107908390
N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
CID 105482989
N-(4-methylsulfonyl-2-prop-2-enylphenyl)prop-2-enamide
CID 102287611

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide?
The IUPAC name of N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide (CID 101469138) is N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide.
What is the SMILES notation for N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide?
The canonical SMILES for N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide is C=CCCC(=C)C(=O)Nc1ccc(F)cc1CC=C.
What is the InChIKey of N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide?
The InChIKey is NKHOBTBMYLPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-4-6-8-12(3)16(19)18-15-10-9-14(17)11-13(15)7-5-2/h4-5,9-11H,1-3,6-8H2,(H,18,19).
What are the key properties of N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide?
N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide has a molecular weight of 259.32 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-prop-2-enylphenyl)-2-methylidenehex-5-enamide is sourced from PubChem (CID 101469138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).