N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide

C17H15F3N2O4 — CID 135497079

IUPACN-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(O)c(/C=N/NC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C17H15F3N2O4/c1-25-12-7-14(23)13(15(8-12)26-2)9-21-22-16(24)10-3-5-11(6-4-10)17(18,19)20/h3-9,23H,1-2H3,(H,22,24)/b21-9+
InChIKeyLXQJGJKIHKWXMX-ZVBGSRNCSA-N
MW368.31 g/mol
LogP3.19
Rot. Bonds5

About N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide

N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide (PubChem CID 135497079) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
PubChem CID135497079
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC NameN-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(O)c(/C=N/NC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C17H15F3N2O4/c1-25-12-7-14(23)13(15(8-12)26-2)9-21-22-16(24)10-3-5-11(6-4-10)17(18,19)20/h3-9,23H,1-2H3,(H,22,24)/b21-9+
InChIKeyLXQJGJKIHKWXMX-ZVBGSRNCSA-N
XLogP3.19
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
CID 2401210
N'-(4-methoxybenzylidene)-4-[(2,2,3,3-tetrafluoropropoxy)methyl]benzohydrazide
CID 5455542
4-Bromo-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]benzohydrazide
CID 5721838
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-hydroxybenzohydrazide
CID 135459120
N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135489099
Salicylaldehyde p-Methoxyphenyl-acyl hydrazone
CID 135648352
4-Hydroxybenzoic (4-methoxybenzylidene)hydrazide
CID 6862722
4-Hydroxy-N'-(2-methoxybenzylidene)benzohydrazide
CID 9689410
4-Hydroxybenzoic (2,4-dihydroxybenzylidene)hydrazide
CID 135452452
Benzoic (2,4-dihydroxybenzylidene)hydrazide
CID 135458840
N'-(4-hydroxybenzylidene)-4-methoxybenzohydrazide
CID 135643112
(2E)-2-(benzoylhydrazono)-7-methoxy-2H-chromene-3-carboxamide
CID 5995680

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide (CID 135497079) is N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide is COc1cc(O)c(/C=N/NC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
The InChIKey is LXQJGJKIHKWXMX-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-25-12-7-14(23)13(15(8-12)26-2)9-21-22-16(24)10-3-5-11(6-4-10)17(18,19)20/h3-9,23H,1-2H3,(H,22,24)/b21-9+.
What are the key properties of N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide has a molecular weight of 368.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 135497079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).