2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide

C16H11BrClF3N2O2 — CID 4924477

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NN=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11BrClF3N2O2/c17-13-7-12(18)4-5-14(13)25-9-15(24)23-22-8-10-2-1-3-11(6-10)16(19,20)21/h1-8H,9H2,(H,23,24)
InChIKeyXVQDCUXNRBLLHK-UHFFFAOYSA-N
MW435.63 g/mol
LogP4.65
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 4924477) has the molecular formula C16H11BrClF3N2O2 and a molecular weight of 435.63 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID4924477
Molecular FormulaC16H11BrClF3N2O2
Molecular Weight435.63 g/mol
Exact Mass433.96
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NN=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11BrClF3N2O2/c17-13-7-12(18)4-5-14(13)25-9-15(24)23-22-8-10-2-1-3-11(6-10)16(19,20)21/h1-8H,9H2,(H,23,24)
InChIKeyXVQDCUXNRBLLHK-UHFFFAOYSA-N
XLogP4.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 54.65
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'}

Analyze 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide 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

2-(2,4-dichlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924400
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135479274
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
CID 1138563
2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide
CID 4152821
2-(2,6-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924390
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
2-(2,5-dichlorophenoxy)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 19189624
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135699251

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 4924477) is 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1Br)NN=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is XVQDCUXNRBLLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClF3N2O2/c17-13-7-12(18)4-5-14(13)25-9-15(24)23-22-8-10-2-1-3-11(6-10)16(19,20)21/h1-8H,9H2,(H,23,24).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 435.63 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 4924477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).