[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate

C23H18F3NO2 — CID 67545800

IUPAC[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate
SMILESCC(=COc1ccccc1)/C(=N\c1ccccc1)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO2/c1-17(16-28-20-12-6-3-7-13-20)22(27-19-10-4-2-5-11-19)29-21-14-8-9-18(15-21)23(24,25)26/h2-16H,1H3/b17-16?,27-22+
InChIKeyKPPYJRKRXLNNQC-IONYYRHASA-N
MW397.40 g/mol
LogP6.80
Rot. Bonds5

About [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate

[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate (PubChem CID 67545800) has the molecular formula C23H18F3NO2 and a molecular weight of 397.40 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate
PubChem CID67545800
Molecular FormulaC23H18F3NO2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate
SMILESCC(=COc1ccccc1)/C(=N\c1ccccc1)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO2/c1-17(16-28-20-12-6-3-7-13-20)22(27-19-10-4-2-5-11-19)29-21-14-8-9-18(15-21)23(24,25)26/h2-16H,1H3/b17-16?,27-22+
InChIKeyKPPYJRKRXLNNQC-IONYYRHASA-N
XLogP6.80
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.40
LogP ≤ 56.80
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-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67543944
phenyl (E)-3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 67544048
phenyl 3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 59498400
phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate
CID 59498141
phenyl 2-methyl-N-(2-methylphenyl)-3-phenoxyprop-2-enimidate
CID 67544812
(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67544611
1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
CID 67930269
phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate
CID 67544900
(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 59498355
[3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate
CID 72524575
1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene
CID 123153369
(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate
CID 67542931

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
The IUPAC name of [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate (CID 67545800) is [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate is CC(=COc1ccccc1)/C(=N\c1ccccc1)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
The InChIKey is KPPYJRKRXLNNQC-IONYYRHASA-N. The full InChI is InChI=1S/C23H18F3NO2/c1-17(16-28-20-12-6-3-7-13-20)22(27-19-10-4-2-5-11-19)29-21-14-8-9-18(15-21)23(24,25)26/h2-16H,1H3/b17-16?,27-22+.
What are the key properties of [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate has a molecular weight of 397.40 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate is sourced from PubChem (CID 67545800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).