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

C17H14F3NO2 — CID 2460547

IUPAC(E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C17H14F3NO2/c1-11-5-7-14(15(22)9-11)21-16(23)8-6-12-3-2-4-13(10-12)17(18,19)20/h2-10,22H,1H3,(H,21,23)/b8-6+
InChIKeyBLMGQTLFOQLZET-SOFGYWHQSA-N
MW321.30 g/mol
LogP4.37
Rot. Bonds3

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

(E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 2460547) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID2460547
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name(E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C17H14F3NO2/c1-11-5-7-14(15(22)9-11)21-16(23)8-6-12-3-2-4-13(10-12)17(18,19)20/h2-10,22H,1H3,(H,21,23)/b8-6+
InChIKeyBLMGQTLFOQLZET-SOFGYWHQSA-N
XLogP4.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 2460547) is (E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(O)c1.
What is the InChIKey of (E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is BLMGQTLFOQLZET-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-11-5-7-14(15(22)9-11)21-16(23)8-6-12-3-2-4-13(10-12)17(18,19)20/h2-10,22H,1H3,(H,21,23)/b8-6+.
What are the key properties of (E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 321.30 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2460547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).