(E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide

C17H15F3N2O — CID 59789856

IUPAC(E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide
SMILESCOc1ccc(/C=C/C(N)=N/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3N2O/c1-23-15-8-5-12(6-9-15)7-10-16(21)22-14-4-2-3-13(11-14)17(18,19)20/h2-11H,1H3,(H2,21,22)/b10-7+
InChIKeyZXPQETRXDBOVGF-JXMROGBWSA-N
MW320.31 g/mol
LogP4.42
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide

(E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide (PubChem CID 59789856) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide
PubChem CID59789856
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name(E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide
SMILESCOc1ccc(/C=C/C(N)=N/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3N2O/c1-23-15-8-5-12(6-9-15)7-10-16(21)22-14-4-2-3-13(11-14)17(18,19)20/h2-11H,1H3,(H2,21,22)/b10-7+
InChIKeyZXPQETRXDBOVGF-JXMROGBWSA-N
XLogP4.42
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide (CID 59789856) is (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide is COc1ccc(/C=C/C(N)=N/c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide?
The InChIKey is ZXPQETRXDBOVGF-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-23-15-8-5-12(6-9-15)7-10-16(21)22-14-4-2-3-13(11-14)17(18,19)20/h2-11H,1H3,(H2,21,22)/b10-7+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide?
(E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide has a molecular weight of 320.31 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide is sourced from PubChem (CID 59789856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).