5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

C20H18F3NO2 — CID 141194632

IUPAC5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESCCOc1ccc(C(=CC=CC(N)=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H18F3NO2/c1-2-26-17-12-8-15(9-13-17)18(4-3-5-19(24)25)14-6-10-16(11-7-14)20(21,22)23/h3-13H,2H2,1H3,(H2,24,25)
InChIKeyXVOVAWLZQBANIV-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.58
Rot. Bonds6

About 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (PubChem CID 141194632) has the molecular formula C20H18F3NO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
PubChem CID141194632
Molecular FormulaC20H18F3NO2
Molecular Weight361.36 g/mol
Exact Mass361.13
IUPAC Name5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESCCOc1ccc(C(=CC=CC(N)=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H18F3NO2/c1-2-26-17-12-8-15(9-13-17)18(4-3-5-19(24)25)14-6-10-16(11-7-14)20(21,22)23/h3-13H,2H2,1H3,(H2,24,25)
InChIKeyXVOVAWLZQBANIV-UHFFFAOYSA-N
XLogP4.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.58
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,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87598047
ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 57386566
(2E,4E)-N-[3-acetamido-2-(hydroxymethyl)phenyl]-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87598858
N-[2-(1,2-dihydroxyethyl)phenyl]-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 91292795
(2E)-N-(7-ethoxynaphthalen-1-yl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 25059898
5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 76533381
(2E,4Z)-5-(2-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598556
(2E,4E)-5-(4-ethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87612627
(2E,4E)-5-(4-ethoxyphenyl)-N-(3-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride
CID 87599974
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
ethyl (2E)-3-methyl-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 86633237
(E)-3-(4-ethoxy-2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 177371055

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The IUPAC name of 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (CID 141194632) is 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is CCOc1ccc(C(=CC=CC(N)=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The InChIKey is XVOVAWLZQBANIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO2/c1-2-26-17-12-8-15(9-13-17)18(4-3-5-19(24)25)14-6-10-16(11-7-14)20(21,22)23/h3-13H,2H2,1H3,(H2,24,25).
What are the key properties of 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide has a molecular weight of 361.36 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is sourced from PubChem (CID 141194632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).