N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide

C17H18BrNO4 — CID 7713871

IUPACN-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H18BrNO4/c1-11-4-5-16(15(18)6-11)19-17(20)10-23-14-8-12(21-2)7-13(9-14)22-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyZROXLETYVKEMKT-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.79
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide

N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide (PubChem CID 7713871) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
PubChem CID7713871
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H18BrNO4/c1-11-4-5-16(15(18)6-11)19-17(20)10-23-14-8-12(21-2)7-13(9-14)22-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyZROXLETYVKEMKT-UHFFFAOYSA-N
XLogP3.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192
N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110862951
ethyl 4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]benzoate
CID 34569554
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide
CID 39009374
N-(2-bromo-4-methylphenyl)-2-(3-cyanophenoxy)acetamide
CID 2591410
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988295
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 108998576
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 19167845

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide (CID 7713871) is N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide is COc1cc(OC)cc(OCC(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide?
The InChIKey is ZROXLETYVKEMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-11-4-5-16(15(18)6-11)19-17(20)10-23-14-8-12(21-2)7-13(9-14)22-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide?
N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide has a molecular weight of 380.24 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 7713871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).