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

C23H22BrNO4 — CID 17130878

IUPAC2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2OCCOc2ccccc2)ccc1Br
InChIInChI=1S/C23H22BrNO4/c1-17-15-19(11-12-20(17)24)29-16-23(26)25-21-9-5-6-10-22(21)28-14-13-27-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,25,26)
InChIKeyAWMZRBFZFMGUDW-UHFFFAOYSA-N
MW456.34 g/mol
LogP5.23
Rot. Bonds9

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

2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 17130878) has the molecular formula C23H22BrNO4 and a molecular weight of 456.34 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID17130878
Molecular FormulaC23H22BrNO4
Molecular Weight456.34 g/mol
Exact Mass455.07
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2OCCOc2ccccc2)ccc1Br
InChIInChI=1S/C23H22BrNO4/c1-17-15-19(11-12-20(17)24)29-16-23(26)25-21-9-5-6-10-22(21)28-14-13-27-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,25,26)
InChIKeyAWMZRBFZFMGUDW-UHFFFAOYSA-N
XLogP5.23
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.34
LogP ≤ 55.23
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-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130812
2-(2-bromo-4-ethylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130889
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene
CID 83133442
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
CID 17095041
N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180524
2-(4-chloro-3-methylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 17134013
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-(4-bromo-3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1329034

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (CID 17130878) is 2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccccc2OCCOc2ccccc2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is AWMZRBFZFMGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO4/c1-17-15-19(11-12-20(17)24)29-16-23(26)25-21-9-5-6-10-22(21)28-14-13-27-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,25,26).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 456.34 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17130878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).