(2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

C19H16F3NO2 — CID 87598811

IUPAC(2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESNC(=O)/C=C/C=C(\c1ccc(C(F)(F)F)cc1)c1cccc(CO)c1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)16-9-7-14(8-10-16)17(5-2-6-18(23)25)15-4-1-3-13(11-15)12-24/h1-11,24H,12H2,(H2,23,25)/b6-2+,17-5+
InChIKeyDASWDFCIDCUOLP-BOJNLLBOSA-N
MW347.34 g/mol
LogP3.67
Rot. Bonds5

About (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

(2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (PubChem CID 87598811) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
PubChem CID87598811
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name(2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESNC(=O)/C=C/C=C(\c1ccc(C(F)(F)F)cc1)c1cccc(CO)c1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)16-9-7-14(8-10-16)17(5-2-6-18(23)25)15-4-1-3-13(11-15)12-24/h1-11,24H,12H2,(H2,23,25)/b6-2+,17-5+
InChIKeyDASWDFCIDCUOLP-BOJNLLBOSA-N
XLogP3.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (CID 87598811) is (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is NC(=O)/C=C/C=C(\c1ccc(C(F)(F)F)cc1)c1cccc(CO)c1.
What is the InChIKey of (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The InChIKey is DASWDFCIDCUOLP-BOJNLLBOSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)16-9-7-14(8-10-16)17(5-2-6-18(23)25)15-4-1-3-13(11-15)12-24/h1-11,24H,12H2,(H2,23,25)/b6-2+,17-5+.
What are the key properties of (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
(2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide has a molecular weight of 347.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[3-(hydroxymethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is sourced from PubChem (CID 87598811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).