(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate

C23H20FNO2 — CID 67543944

IUPAC(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
SMILESCC(=C\Oc1ccc(C)cc1)/C(=N\c1ccccc1)Oc1cccc(F)c1
InChIInChI=1S/C23H20FNO2/c1-17-11-13-21(14-12-17)26-16-18(2)23(25-20-8-4-3-5-9-20)27-22-10-6-7-19(24)15-22/h3-16H,1-2H3/b18-16+,25-23+
InChIKeyPNIDRYLZJMDAMW-NPKLFXHASA-N
MW361.42 g/mol
LogP6.23
Rot. Bonds5

About (3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate

(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate (PubChem CID 67543944) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is (3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate.

Molecular Properties

Compound Name(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
PubChem CID67543944
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
SMILESCC(=C\Oc1ccc(C)cc1)/C(=N\c1ccccc1)Oc1cccc(F)c1
InChIInChI=1S/C23H20FNO2/c1-17-11-13-21(14-12-17)26-16-18(2)23(25-20-8-4-3-5-9-20)27-22-10-6-7-19(24)15-22/h3-16H,1-2H3/b18-16+,25-23+
InChIKeyPNIDRYLZJMDAMW-NPKLFXHASA-N
XLogP6.23
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 56.23
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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Related Compounds

(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498375
(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498391
phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 67545800
(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67544611
phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate
CID 67544941
(3-methylphenyl) (2E)-2-[(4-methylphenoxy)methylidene]-N-phenylbutanimidate
CID 67545817
phenyl (E)-3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 67544048
(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate
CID 67542931
(3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate
CID 67542380
(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 59498355
phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
CID 67544196

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The IUPAC name of (3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate (CID 67543944) is (3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate.
What is the SMILES notation for (3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The canonical SMILES for (3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate is CC(=C\Oc1ccc(C)cc1)/C(=N\c1ccccc1)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The InChIKey is PNIDRYLZJMDAMW-NPKLFXHASA-N. The full InChI is InChI=1S/C23H20FNO2/c1-17-11-13-21(14-12-17)26-16-18(2)23(25-20-8-4-3-5-9-20)27-22-10-6-7-19(24)15-22/h3-16H,1-2H3/b18-16+,25-23+.
What are the key properties of (3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate has a molecular weight of 361.42 g/mol, XLogP of 6.23, 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-(4-methylphenoxy)-N-phenylprop-2-enimidate is sourced from PubChem (CID 67543944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).