(Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide

C18H17F3N2O — CID 154951198

IUPAC(Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide
SMILESC/C(=C/C(N)=N/c1ccc(OC(F)(F)F)cc1)c1ccccc1C
InChIInChI=1S/C18H17F3N2O/c1-12-5-3-4-6-16(12)13(2)11-17(22)23-14-7-9-15(10-8-14)24-18(19,20)21/h3-11H,1-2H3,(H2,22,23)/b13-11-
InChIKeyLMDXXKXXPLBTKK-QBFSEMIESA-N
MW334.34 g/mol
LogP4.99
Rot. Bonds4

About (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide

(Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide (PubChem CID 154951198) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide
PubChem CID154951198
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name(Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide
SMILESC/C(=C/C(N)=N/c1ccc(OC(F)(F)F)cc1)c1ccccc1C
InChIInChI=1S/C18H17F3N2O/c1-12-5-3-4-6-16(12)13(2)11-17(22)23-14-7-9-15(10-8-14)24-18(19,20)21/h3-11H,1-2H3,(H2,22,23)/b13-11-
InChIKeyLMDXXKXXPLBTKK-QBFSEMIESA-N
XLogP4.99
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.99
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 (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide?
The IUPAC name of (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide (CID 154951198) is (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide.
What is the SMILES notation for (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide?
The canonical SMILES for (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide is C/C(=C/C(N)=N/c1ccc(OC(F)(F)F)cc1)c1ccccc1C.
What is the InChIKey of (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide?
The InChIKey is LMDXXKXXPLBTKK-QBFSEMIESA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-12-5-3-4-6-16(12)13(2)11-17(22)23-14-7-9-15(10-8-14)24-18(19,20)21/h3-11H,1-2H3,(H2,22,23)/b13-11-.
What are the key properties of (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide?
(Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide has a molecular weight of 334.34 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide is sourced from PubChem (CID 154951198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).