N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide

C18H19BrN2O3 — CID 24673628

IUPACN-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(C)cc2Br)c1C
InChIInChI=1S/C18H19BrN2O3/c1-11-7-8-17(14(19)9-11)24-10-18(23)21-16-6-4-5-15(12(16)2)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQXLVNBWDDWPEQF-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.04
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide

N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide (PubChem CID 24673628) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
PubChem CID24673628
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(C)cc2Br)c1C
InChIInChI=1S/C18H19BrN2O3/c1-11-7-8-17(14(19)9-11)24-10-18(23)21-16-6-4-5-15(12(16)2)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQXLVNBWDDWPEQF-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-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 16781912
3-[3-(2-bromo-4-methylphenoxy)propanoylamino]-2-methylbenzamide
CID 86851764
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 46761825
2-(2-acetamidophenoxy)-N-(3-methylphenyl)acetamide
CID 7867297
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761183
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695
2-[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]benzamide
CID 3291331

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide (CID 24673628) is N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide is CC(=O)Nc1cccc(NC(=O)COc2ccc(C)cc2Br)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide?
The InChIKey is QXLVNBWDDWPEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-11-7-8-17(14(19)9-11)24-10-18(23)21-16-6-4-5-15(12(16)2)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide?
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)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-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide is sourced from PubChem (CID 24673628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).