N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide

C18H19BrN2O3 — CID 46761825

IUPACN-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)COc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-12-7-8-17(16(19)9-12)24-11-18(23)20-14-5-4-6-15(10-14)21(3)13(2)22/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyZIOBEPYOTVEKDM-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.76
Rot. Bonds5

About N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide

N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide (PubChem CID 46761825) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
PubChem CID46761825
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)COc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-12-7-8-17(16(19)9-12)24-11-18(23)20-14-5-4-6-15(10-14)21(3)13(2)22/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyZIOBEPYOTVEKDM-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 46761925
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231792
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 46761828
(3E)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-methylphenyl)butanamide
CID 6322490
(3Z)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-methylphenyl)butanamide
CID 6294058
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 46761769
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 46761852
3-bromo-4-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707266
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-tert-butylphenoxy)acetamide
CID 17350095
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 24673628

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide (CID 46761825) is N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide is CC(=O)N(C)c1cccc(NC(=O)COc2ccc(C)cc2Br)c1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide?
The InChIKey is ZIOBEPYOTVEKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-7-8-17(16(19)9-12)24-11-18(23)20-14-5-4-6-15(10-14)21(3)13(2)22/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide?
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide is sourced from PubChem (CID 46761825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).