(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate

C22H18FNO2 — CID 59498375

IUPAC(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
SMILESCC(=C\Oc1ccccc1)/C(=N\c1ccccc1)Oc1cccc(F)c1
InChIInChI=1S/C22H18FNO2/c1-17(16-25-20-12-6-3-7-13-20)22(24-19-10-4-2-5-11-19)26-21-14-8-9-18(23)15-21/h2-16H,1H3/b17-16+,24-22+
InChIKeySJRFRESSVRYLQG-KOARNGDQSA-N
MW347.39 g/mol
LogP5.92
Rot. Bonds5

About (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate

(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate (PubChem CID 59498375) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate.

Molecular Properties

Compound Name(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
PubChem CID59498375
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
SMILESCC(=C\Oc1ccccc1)/C(=N\c1ccccc1)Oc1cccc(F)c1
InChIInChI=1S/C22H18FNO2/c1-17(16-25-20-12-6-3-7-13-20)22(24-19-10-4-2-5-11-19)26-21-14-8-9-18(23)15-21/h2-16H,1H3/b17-16+,24-22+
InChIKeySJRFRESSVRYLQG-KOARNGDQSA-N
XLogP5.92
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
The IUPAC name of (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate (CID 59498375) is (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate.
What is the SMILES notation for (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
The canonical SMILES for (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate is CC(=C\Oc1ccccc1)/C(=N\c1ccccc1)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
The InChIKey is SJRFRESSVRYLQG-KOARNGDQSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-17(16-25-20-12-6-3-7-13-20)22(24-19-10-4-2-5-11-19)26-21-14-8-9-18(23)15-21/h2-16H,1H3/b17-16+,24-22+.
What are the key properties of (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate has a molecular weight of 347.39 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate is sourced from PubChem (CID 59498375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).