2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide

C18H20BrNO4 — CID 17169811

IUPAC2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cccc(NC(=O)COc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H20BrNO4/c1-13-10-14(19)6-7-17(13)24-12-18(21)20-15-4-3-5-16(11-15)23-9-8-22-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyGULNUGQFJJOWHG-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.80
Rot. Bonds8

About 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide

2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 17169811) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
PubChem CID17169811
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cccc(NC(=O)COc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H20BrNO4/c1-13-10-14(19)6-7-17(13)24-12-18(21)20-15-4-3-5-16(11-15)23-9-8-22-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyGULNUGQFJJOWHG-UHFFFAOYSA-N
XLogP3.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
CID 17086029
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(2,4-dibromophenoxy)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 19628723
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169791
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
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-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide (CID 17169811) is 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide is COCCOc1cccc(NC(=O)COc2ccc(Br)cc2C)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is GULNUGQFJJOWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-13-10-14(19)6-7-17(13)24-12-18(21)20-15-4-3-5-16(11-15)23-9-8-22-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 394.27 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17169811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).