(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide

C13H14FNO2 — CID 33068846

IUPAC(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C13H14FNO2/c1-3-4-5-6-13(16)15-11-8-7-10(14)9-12(11)17-2/h3-9H,1-2H3,(H,15,16)/b4-3+,6-5+
InChIKeyALHDDVUEQLOOBV-VNKDHWASSA-N
MW235.26 g/mol
LogP2.91
Rot. Bonds4

About (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide

(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide (PubChem CID 33068846) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
PubChem CID33068846
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C13H14FNO2/c1-3-4-5-6-13(16)15-11-8-7-10(14)9-12(11)17-2/h3-9H,1-2H3,(H,15,16)/b4-3+,6-5+
InChIKeyALHDDVUEQLOOBV-VNKDHWASSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.91
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

(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 72688712
(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
CID 43134311
N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide
CID 103753396
(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 9439076
(2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide
CID 9397804
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780
(E)-3-(4-fluorophenyl)-N-[4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6108914
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide (CID 33068846) is (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(F)cc1OC.
What is the InChIKey of (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide?
The InChIKey is ALHDDVUEQLOOBV-VNKDHWASSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-3-4-5-6-13(16)15-11-8-7-10(14)9-12(11)17-2/h3-9H,1-2H3,(H,15,16)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide?
(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide has a molecular weight of 235.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 33068846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).