N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

C17H14BrF3N2O3 — CID 137080251

IUPACN-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESCCOc1cc(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C17H14BrF3N2O3/c1-2-26-14-8-13(18)7-11(15(14)24)9-22-23-16(25)10-4-3-5-12(6-10)17(19,20)21/h3-9,24H,2H2,1H3,(H,23,25)/b22-9-
InChIKeyCAPUVHFENBPJKC-AFPJDJCSSA-N
MW431.21 g/mol
LogP4.34
Rot. Bonds5

About N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 137080251) has the molecular formula C17H14BrF3N2O3 and a molecular weight of 431.21 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID137080251
Molecular FormulaC17H14BrF3N2O3
Molecular Weight431.21 g/mol
Exact Mass430.01
IUPAC NameN-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESCCOc1cc(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C17H14BrF3N2O3/c1-2-26-14-8-13(18)7-11(15(14)24)9-22-23-16(25)10-4-3-5-12(6-10)17(19,20)21/h3-9,24H,2H2,1H3,(H,23,25)/b22-9-
InChIKeyCAPUVHFENBPJKC-AFPJDJCSSA-N
XLogP4.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.21
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135642919
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499236
3-bromo-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135579634
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 136758849
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 137160331
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884089
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080586
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137066625
N-[(Z)-3-[2-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 137206909

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (CID 137080251) is N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is CCOc1cc(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c1O.
What is the InChIKey of N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is CAPUVHFENBPJKC-AFPJDJCSSA-N. The full InChI is InChI=1S/C17H14BrF3N2O3/c1-2-26-14-8-13(18)7-11(15(14)24)9-22-23-16(25)10-4-3-5-12(6-10)17(19,20)21/h3-9,24H,2H2,1H3,(H,23,25)/b22-9-.
What are the key properties of N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 431.21 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 137080251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).