2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide

C15H12BrCl2NO2 — CID 1369656

IUPAC2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C15H12BrCl2NO2/c1-9-2-3-14(13(16)4-9)21-8-15(20)19-12-6-10(17)5-11(18)7-12/h2-7H,8H2,1H3,(H,19,20)
InChIKeyRELKCMZJSDZKAE-UHFFFAOYSA-N
MW389.08 g/mol
LogP5.08
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 1369656) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
PubChem CID1369656
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C15H12BrCl2NO2/c1-9-2-3-14(13(16)4-9)21-8-15(20)19-12-6-10(17)5-11(18)7-12/h2-7H,8H2,1H3,(H,19,20)
InChIKeyRELKCMZJSDZKAE-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.08
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)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-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 2058795
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 31857859
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide
CID 4280299
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 3288534

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide (CID 1369656) is 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide is Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is RELKCMZJSDZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-9-2-3-14(13(16)4-9)21-8-15(20)19-12-6-10(17)5-11(18)7-12/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 389.08 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 1369656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).