N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide

C17H17BrN2O3 — CID 1328492

IUPACN-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O3/c1-11-9-13(18)7-8-16(11)23-10-17(22)20-15-6-4-3-5-14(15)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDIYVNOITXHSJGY-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.73
Rot. Bonds5

About N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide

N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide (PubChem CID 1328492) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
PubChem CID1328492
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O3/c1-11-9-13(18)7-8-16(11)23-10-17(22)20-15-6-4-3-5-14(15)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDIYVNOITXHSJGY-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 1328520
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949446
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5176598
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(2-acetamido-5-acetylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 24534074
N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 1329159
N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 4937395

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The IUPAC name of N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide (CID 1328492) is N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide is CC(=O)Nc1ccccc1NC(=O)COc1ccc(Br)cc1C.
What is the InChIKey of N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The InChIKey is DIYVNOITXHSJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-9-13(18)7-8-16(11)23-10-17(22)20-15-6-4-3-5-14(15)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide has a molecular weight of 377.24 g/mol, XLogP of 3.73, 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-2-methylphenoxy)acetamide is sourced from PubChem (CID 1328492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).