4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol

C15H13F3N2O — CID 135519978

IUPAC4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol
SMILESC/C(=N\Nc1cccc(C(F)(F)F)c1)c1ccc(O)cc1
InChIInChI=1S/C15H13F3N2O/c1-10(11-5-7-14(21)8-6-11)19-20-13-4-2-3-12(9-13)15(16,17)18/h2-9,20-21H,1H3/b19-10+
InChIKeyWUYPIYDVOGKXQL-VXLYETTFSA-N
MW294.28 g/mol
LogP4.25
Rot. Bonds3

About 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol

4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol (PubChem CID 135519978) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol
PubChem CID135519978
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol
SMILESC/C(=N\Nc1cccc(C(F)(F)F)c1)c1ccc(O)cc1
InChIInChI=1S/C15H13F3N2O/c1-10(11-5-7-14(21)8-6-11)19-20-13-4-2-3-12(9-13)15(16,17)18/h2-9,20-21H,1H3/b19-10+
InChIKeyWUYPIYDVOGKXQL-VXLYETTFSA-N
XLogP4.25
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol?
The IUPAC name of 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol (CID 135519978) is 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol is C/C(=N\Nc1cccc(C(F)(F)F)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol?
The InChIKey is WUYPIYDVOGKXQL-VXLYETTFSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-10(11-5-7-14(21)8-6-11)19-20-13-4-2-3-12(9-13)15(16,17)18/h2-9,20-21H,1H3/b19-10+.
What are the key properties of 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol?
4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol has a molecular weight of 294.28 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol is sourced from PubChem (CID 135519978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).