N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide

C19H19F3N2O4 — CID 78778220

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(/C=N/OC)cc1
InChIInChI=1S/C19H19F3N2O4/c1-26-9-10-28-17-8-7-15(19(20,21)22)11-16(17)24-18(25)14-5-3-13(4-6-14)12-23-27-2/h3-8,11-12H,9-10H2,1-2H3,(H,24,25)/b23-12+
InChIKeyHWVXIMIBEIOAEI-FSJBWODESA-N
MW396.37 g/mol
LogP3.96
Rot. Bonds8

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide (PubChem CID 78778220) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
PubChem CID78778220
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(/C=N/OC)cc1
InChIInChI=1S/C19H19F3N2O4/c1-26-9-10-28-17-8-7-15(19(20,21)22)11-16(17)24-18(25)14-5-3-13(4-6-14)12-23-27-2/h3-8,11-12H,9-10H2,1-2H3,(H,24,25)/b23-12+
InChIKeyHWVXIMIBEIOAEI-FSJBWODESA-N
XLogP3.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574118
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 8801965
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 78777792
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-bromobenzoate
CID 16539970
4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 55524220

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide (CID 78778220) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(/C=N/OC)cc1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide?
The InChIKey is HWVXIMIBEIOAEI-FSJBWODESA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-26-9-10-28-17-8-7-15(19(20,21)22)11-16(17)24-18(25)14-5-3-13(4-6-14)12-23-27-2/h3-8,11-12H,9-10H2,1-2H3,(H,24,25)/b23-12+.
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide has a molecular weight of 396.37 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide is sourced from PubChem (CID 78778220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).