N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide

C22H24F4N2O — CID 175505562

IUPACN-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide
SMILESC=C(C)/C(=N\c1cc(C)c(Oc2ccc(F)c(C(F)(F)F)c2)cc1C)N(C)CC
InChIInChI=1S/C22H24F4N2O/c1-7-28(6)21(13(2)3)27-19-10-15(5)20(11-14(19)4)29-16-8-9-18(23)17(12-16)22(24,25)26/h8-12H,2,7H2,1,3-6H3/b27-21+
InChIKeyRGIQDEGYYYYQGT-SZXQPVLSSA-N
MW408.44 g/mol
LogP6.81
Rot. Bonds5

About N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide

N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide (PubChem CID 175505562) has the molecular formula C22H24F4N2O and a molecular weight of 408.44 g/mol. Its IUPAC name is N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide
PubChem CID175505562
Molecular FormulaC22H24F4N2O
Molecular Weight408.44 g/mol
Exact Mass408.18
IUPAC NameN-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide
SMILESC=C(C)/C(=N\c1cc(C)c(Oc2ccc(F)c(C(F)(F)F)c2)cc1C)N(C)CC
InChIInChI=1S/C22H24F4N2O/c1-7-28(6)21(13(2)3)27-19-10-15(5)20(11-14(19)4)29-16-8-9-18(23)17(12-16)22(24,25)26/h8-12H,2,7H2,1,3-6H3/b27-21+
InChIKeyRGIQDEGYYYYQGT-SZXQPVLSSA-N
XLogP6.81
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 56.81
H-Bond Donors ≤ 50
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 N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide?
The IUPAC name of N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide (CID 175505562) is N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide.
What is the SMILES notation for N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide?
The canonical SMILES for N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide is C=C(C)/C(=N\c1cc(C)c(Oc2ccc(F)c(C(F)(F)F)c2)cc1C)N(C)CC.
What is the InChIKey of N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide?
The InChIKey is RGIQDEGYYYYQGT-SZXQPVLSSA-N. The full InChI is InChI=1S/C22H24F4N2O/c1-7-28(6)21(13(2)3)27-19-10-15(5)20(11-14(19)4)29-16-8-9-18(23)17(12-16)22(24,25)26/h8-12H,2,7H2,1,3-6H3/b27-21+.
What are the key properties of N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide?
N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide has a molecular weight of 408.44 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide is sourced from PubChem (CID 175505562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).