2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C16H12BrClF3NO2 — CID 1328154

IUPAC2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H12BrClF3NO2/c1-9-6-11(17)3-5-14(9)24-8-15(23)22-13-7-10(16(19,20)21)2-4-12(13)18/h2-7H,8H2,1H3,(H,22,23)
InChIKeyHZAIEHZDZGKYNH-UHFFFAOYSA-N
MW422.63 g/mol
LogP5.45
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 1328154) has the molecular formula C16H12BrClF3NO2 and a molecular weight of 422.63 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID1328154
Molecular FormulaC16H12BrClF3NO2
Molecular Weight422.63 g/mol
Exact Mass420.97
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H12BrClF3NO2/c1-9-6-11(17)3-5-14(9)24-8-15(23)22-13-7-10(16(19,20)21)2-4-12(13)18/h2-7H,8H2,1H3,(H,22,23)
InChIKeyHZAIEHZDZGKYNH-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.63
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 1328154) is 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is Cc1cc(Br)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HZAIEHZDZGKYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClF3NO2/c1-9-6-11(17)3-5-14(9)24-8-15(23)22-13-7-10(16(19,20)21)2-4-12(13)18/h2-7H,8H2,1H3,(H,22,23).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 422.63 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1328154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).