(3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide

C15H13FN2O3 — CID 134385924

IUPAC(3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide
SMILESNC(=O)C/C(=N\Oc1ccc(F)c(O)c1)c1ccccc1
InChIInChI=1S/C15H13FN2O3/c16-12-7-6-11(8-14(12)19)21-18-13(9-15(17)20)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,17,20)/b18-13+
InChIKeyFVESWLCEMQYRAX-QGOAFFKASA-N
MW288.28 g/mol
LogP2.19
Rot. Bonds5

About (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide

(3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide (PubChem CID 134385924) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide.

Molecular Properties

Compound Name(3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide
PubChem CID134385924
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name(3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide
SMILESNC(=O)C/C(=N\Oc1ccc(F)c(O)c1)c1ccccc1
InChIInChI=1S/C15H13FN2O3/c16-12-7-6-11(8-14(12)19)21-18-13(9-15(17)20)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,17,20)/b18-13+
InChIKeyFVESWLCEMQYRAX-QGOAFFKASA-N
XLogP2.19
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide?
The IUPAC name of (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide (CID 134385924) is (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide.
What is the SMILES notation for (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide?
The canonical SMILES for (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide is NC(=O)C/C(=N\Oc1ccc(F)c(O)c1)c1ccccc1.
What is the InChIKey of (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide?
The InChIKey is FVESWLCEMQYRAX-QGOAFFKASA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-12-7-6-11(8-14(12)19)21-18-13(9-15(17)20)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,17,20)/b18-13+.
What are the key properties of (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide?
(3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide has a molecular weight of 288.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide is sourced from PubChem (CID 134385924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).