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

C15H13BrFNO2 — CID 7818077

IUPACN-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H13BrFNO2/c1-10-2-5-12(8-14(10)16)18-15(19)9-20-13-6-3-11(17)4-7-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLFVMDTOEEQGBSE-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.91
Rot. Bonds4

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

N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide (PubChem CID 7818077) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide
PubChem CID7818077
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H13BrFNO2/c1-10-2-5-12(8-14(10)16)18-15(19)9-20-13-6-3-11(17)4-7-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLFVMDTOEEQGBSE-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)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

N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915777
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7845035
N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112998503
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
2-(5-bromo-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 107284225
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126268283
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)urea
CID 2978395
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640
N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 54777061

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide (CID 7818077) is N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is LFVMDTOEEQGBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-10-2-5-12(8-14(10)16)18-15(19)9-20-13-6-3-11(17)4-7-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide?
N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 338.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 7818077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).