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

C17H14F3NO2 — CID 2684281

IUPAC(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3NO2/c1-23-15-4-2-3-12(11-15)5-10-16(22)21-14-8-6-13(7-9-14)17(18,19)20/h2-11H,1H3,(H,21,22)/b10-5+
InChIKeyFFXOHGUJSMPDLG-BJMVGYQFSA-N
MW321.30 g/mol
LogP4.37
Rot. Bonds4

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

(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 2684281) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID2684281
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3NO2/c1-23-15-4-2-3-12(11-15)5-10-16(22)21-14-8-6-13(7-9-14)17(18,19)20/h2-11H,1H3,(H,21,22)/b10-5+
InChIKeyFFXOHGUJSMPDLG-BJMVGYQFSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 2684281) is (E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is FFXOHGUJSMPDLG-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-23-15-4-2-3-12(11-15)5-10-16(22)21-14-8-6-13(7-9-14)17(18,19)20/h2-11H,1H3,(H,21,22)/b10-5+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 321.30 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2684281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).