(2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide

C17H16F3NO2 — CID 143071183

IUPAC(2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide
SMILESC=C/C(OC)=C(\C=C\C(N)=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-3-15(23-2)13(8-11-16(21)22)7-4-12-5-9-14(10-6-12)17(18,19)20/h3-11H,1H2,2H3,(H2,21,22)/b7-4+,11-8+,15-13+
InChIKeyHMDSSPBQMHFCJX-LJRGHFSVSA-N
MW323.31 g/mol
LogP3.85
Rot. Bonds6

About (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide

(2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide (PubChem CID 143071183) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide
PubChem CID143071183
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide
SMILESC=C/C(OC)=C(\C=C\C(N)=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-3-15(23-2)13(8-11-16(21)22)7-4-12-5-9-14(10-6-12)17(18,19)20/h3-11H,1H2,2H3,(H2,21,22)/b7-4+,11-8+,15-13+
InChIKeyHMDSSPBQMHFCJX-LJRGHFSVSA-N
XLogP3.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
(E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 117061556
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-1-methoxy-4-[4-(trifluoromethyl)phenyl]but-3-en-2-one
CID 102459636
(3,5-dimethoxyphenyl) 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 4831886
methyl 4-[(E)-3-amino-3-oxoprop-1-enyl]benzoate
CID 82040602
ethyl (E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enoate
CID 46217691
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 84553251
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374
(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide
CID 169482522
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 7355539

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide?
The IUPAC name of (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide (CID 143071183) is (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide is C=C/C(OC)=C(\C=C\C(N)=O)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide?
The InChIKey is HMDSSPBQMHFCJX-LJRGHFSVSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-3-15(23-2)13(8-11-16(21)22)7-4-12-5-9-14(10-6-12)17(18,19)20/h3-11H,1H2,2H3,(H2,21,22)/b7-4+,11-8+,15-13+.
What are the key properties of (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide?
(2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide has a molecular weight of 323.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methoxy-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hepta-2,4,6-trienamide is sourced from PubChem (CID 143071183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).