(E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C18H16F3NO — CID 26913060

IUPAC(E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCc1ccccc1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)16-9-6-15(7-10-16)8-11-17(23)22-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,23)/b11-8+
InChIKeyZERCVRJBBLRQEJ-DHZHZOJOSA-N
MW319.33 g/mol
LogP4.08
Rot. Bonds5

About (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 26913060) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID26913060
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name(E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCc1ccccc1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)16-9-6-15(7-10-16)8-11-17(23)22-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,23)/b11-8+
InChIKeyZERCVRJBBLRQEJ-DHZHZOJOSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 26913060) is (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCc1ccccc1.
What is the InChIKey of (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ZERCVRJBBLRQEJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)16-9-6-15(7-10-16)8-11-17(23)22-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,23)/b11-8+.
What are the key properties of (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 319.33 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 26913060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).