(2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide

C15H18FNO2 — CID 47117260

IUPAC(2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-4-5-6-7-15(18)17-11(2)12-8-9-14(19-3)13(16)10-12/h4-11H,1-3H3,(H,17,18)/b5-4+,7-6+
InChIKeyZMRNEXUQBHHENU-YTXTXJHMSA-N
MW263.31 g/mol
LogP3.14
Rot. Bonds5

About (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide

(2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide (PubChem CID 47117260) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide
PubChem CID47117260
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-4-5-6-7-15(18)17-11(2)12-8-9-14(19-3)13(16)10-12/h4-11H,1-3H3,(H,17,18)/b5-4+,7-6+
InChIKeyZMRNEXUQBHHENU-YTXTXJHMSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 38091744
(E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 51308907
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 24532422
4-[1-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 61172423
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 94024950
(2Z,4E)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]hexa-2,4-dienamide
CID 94195434

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide (CID 47117260) is (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide?
The InChIKey is ZMRNEXUQBHHENU-YTXTXJHMSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-4-5-6-7-15(18)17-11(2)12-8-9-14(19-3)13(16)10-12/h4-11H,1-3H3,(H,17,18)/b5-4+,7-6+.
What are the key properties of (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide?
(2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide has a molecular weight of 263.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 47117260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).