2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide

C17H17BrFNO2 — CID 47024393

IUPAC2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)COc1ccc(Br)cc1F)c1cccc(C)c1
InChIInChI=1S/C17H17BrFNO2/c1-3-20(14-6-4-5-12(2)9-14)17(21)11-22-16-8-7-13(18)10-15(16)19/h4-10H,3,11H2,1-2H3
InChIKeyIBLGDFNDUQDQKZ-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 47024393) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID47024393
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)COc1ccc(Br)cc1F)c1cccc(C)c1
InChIInChI=1S/C17H17BrFNO2/c1-3-20(14-6-4-5-12(2)9-14)17(21)11-22-16-8-7-13(18)10-15(16)19/h4-10H,3,11H2,1-2H3
InChIKeyIBLGDFNDUQDQKZ-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)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-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112978898
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62817330
N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977990
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]acetic acid
CID 54900985
2-(3-chlorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112977302
2-(4-bromo-2-fluorophenoxy)-N-(cyanomethyl)-N-ethylacetamide
CID 47082970
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide
CID 99564617
2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide
CID 17321195
1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
CID 112970324
2-(4-bromo-2-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 2548228
2-(4-bromo-2-fluorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 28546890

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide (CID 47024393) is 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)COc1ccc(Br)cc1F)c1cccc(C)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is IBLGDFNDUQDQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-3-20(14-6-4-5-12(2)9-14)17(21)11-22-16-8-7-13(18)10-15(16)19/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 366.23 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 47024393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).