2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide

C17H15F3N2O2 — CID 5340679

IUPAC2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCOC(C(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H15F3N2O2/c1-24-15(13-7-3-2-4-8-13)16(23)22-21-11-12-6-5-9-14(10-12)17(18,19)20/h2-11,15H,1H3,(H,22,23)/b21-11+
InChIKeyWRNIIZYDSRMLQC-SRZZPIQSSA-N
MW336.31 g/mol
LogP3.54
Rot. Bonds5

About 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 5340679) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID5340679
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCOC(C(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H15F3N2O2/c1-24-15(13-7-3-2-4-8-13)16(23)22-21-11-12-6-5-9-14(10-12)17(18,19)20/h2-11,15H,1H3,(H,22,23)/b21-11+
InChIKeyWRNIIZYDSRMLQC-SRZZPIQSSA-N
XLogP3.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 5340679) is 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is COC(C(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is WRNIIZYDSRMLQC-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-24-15(13-7-3-2-4-8-13)16(23)22-21-11-12-6-5-9-14(10-12)17(18,19)20/h2-11,15H,1H3,(H,22,23)/b21-11+.
What are the key properties of 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 336.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5340679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).