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

C16H12F3NO2 — CID 122188868

IUPAC(E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1C(F)(F)F)Nc1cccc(O)c1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)14-7-2-1-4-11(14)8-9-15(22)20-12-5-3-6-13(21)10-12/h1-10,21H,(H,20,22)/b9-8+
InChIKeyNVXUFYXBTGRDND-CMDGGOBGSA-N
MW307.27 g/mol
LogP4.06
Rot. Bonds3

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

(E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 122188868) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is (E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID122188868
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name(E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1C(F)(F)F)Nc1cccc(O)c1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)14-7-2-1-4-11(14)8-9-15(22)20-12-5-3-6-13(21)10-12/h1-10,21H,(H,20,22)/b9-8+
InChIKeyNVXUFYXBTGRDND-CMDGGOBGSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.06
H-Bond Donors ≤ 52
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)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 122188868) is (E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1C(F)(F)F)Nc1cccc(O)c1.
What is the InChIKey of (E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is NVXUFYXBTGRDND-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)14-7-2-1-4-11(14)8-9-15(22)20-12-5-3-6-13(21)10-12/h1-10,21H,(H,20,22)/b9-8+.
What are the key properties of (E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 307.27 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 122188868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).