(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide

C18H17F3N2O2 — CID 7670510

IUPAC(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccccc1/C=N\O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-12-5-3-4-6-14(12)11-22-25-13(2)17(24)23-16-9-7-15(8-10-16)18(19,20)21/h3-11,13H,1-2H3,(H,23,24)/b22-11-/t13-/m0/s1
InChIKeyUVEJRKAXIRHAMA-BTXKWLAHSA-N
MW350.34 g/mol
LogP4.39
Rot. Bonds5

About (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide

(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 7670510) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID7670510
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccccc1/C=N\O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-12-5-3-4-6-14(12)11-22-25-13(2)17(24)23-16-9-7-15(8-10-16)18(19,20)21/h3-11,13H,1-2H3,(H,23,24)/b22-11-/t13-/m0/s1
InChIKeyUVEJRKAXIRHAMA-BTXKWLAHSA-N
XLogP4.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
CID 7670513
(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7669354
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
CID 7670287
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
CID 7644163
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8609129
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703583
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-methylbut-2-enoate
CID 8759888
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
N-(4-fluorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670162
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-fluorobenzoate
CID 7864203

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide (CID 7670510) is (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide is Cc1ccccc1/C=N\O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UVEJRKAXIRHAMA-BTXKWLAHSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12-5-3-4-6-14(12)11-22-25-13(2)17(24)23-16-9-7-15(8-10-16)18(19,20)21/h3-11,13H,1-2H3,(H,23,24)/b22-11-/t13-/m0/s1.
What are the key properties of (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 350.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 7670510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).