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

C17H14F3NO — CID 27052314

IUPAC(E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)15-9-6-14(7-10-15)12-21-16(22)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22)/b11-8+
InChIKeyJQWONTKTJYGPOJ-DHZHZOJOSA-N
MW305.30 g/mol
LogP4.03
Rot. Bonds4

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

(E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 27052314) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is (E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
PubChem CID27052314
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name(E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)15-9-6-14(7-10-15)12-21-16(22)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22)/b11-8+
InChIKeyJQWONTKTJYGPOJ-DHZHZOJOSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.03
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)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 27052314) is (E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1ccccc1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is JQWONTKTJYGPOJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)15-9-6-14(7-10-15)12-21-16(22)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22)/b11-8+.
What are the key properties of (E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
(E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 305.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 27052314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).