2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide

C19H21BrClNO2 — CID 19202727

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(Br)cc2C(C)C)c(Cl)c1
InChIInChI=1S/C19H21BrClNO2/c1-11(2)15-9-14(20)5-6-17(15)24-10-18(23)22-19-13(4)7-12(3)8-16(19)21/h5-9,11H,10H2,1-4H3,(H,22,23)
InChIKeyNTKNGFXVNSECMM-UHFFFAOYSA-N
MW410.74 g/mol
LogP5.86
Rot. Bonds5

About 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 19202727) has the molecular formula C19H21BrClNO2 and a molecular weight of 410.74 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID19202727
Molecular FormulaC19H21BrClNO2
Molecular Weight410.74 g/mol
Exact Mass409.04
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(Br)cc2C(C)C)c(Cl)c1
InChIInChI=1S/C19H21BrClNO2/c1-11(2)15-9-14(20)5-6-17(15)24-10-18(23)22-19-13(4)7-12(3)8-16(19)21/h5-9,11H,10H2,1-4H3,(H,22,23)
InChIKeyNTKNGFXVNSECMM-UHFFFAOYSA-N
XLogP5.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.74
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)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-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 3966844
2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 112828409
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814259
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
2-(2-acetyl-4-fluorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 112774554
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 19202727) is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2C(C)C)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is NTKNGFXVNSECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO2/c1-11(2)15-9-14(20)5-6-17(15)24-10-18(23)22-19-13(4)7-12(3)8-16(19)21/h5-9,11H,10H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 410.74 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 19202727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).