N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide

C18H19BrN2O3 — CID 1329159

IUPACN-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C18H19BrN2O3/c1-11-8-14(9-12(2)18(11)19)24-10-17(23)21-16-7-5-4-6-15(16)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVFYVKNLMPRIWMN-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.04
Rot. Bonds5

About N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide

N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide (PubChem CID 1329159) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
PubChem CID1329159
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C18H19BrN2O3/c1-11-8-14(9-12(2)18(11)19)24-10-17(23)21-16-7-5-4-6-15(16)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVFYVKNLMPRIWMN-UHFFFAOYSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1329034
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 107722743
2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 80964387
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
CID 1329877
2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 1329079
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide (CID 1329159) is N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide is CC(=O)Nc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide?
The InChIKey is VFYVKNLMPRIWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-11-8-14(9-12(2)18(11)19)24-10-17(23)21-16-7-5-4-6-15(16)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide?
N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide has a molecular weight of 391.27 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 1329159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).