2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide

C23H20BrNO3 — CID 17433681

IUPAC2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide
SMILESCC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H20BrNO3/c1-16(26)20-14-19(24)11-12-22(20)28-15-23(27)25-21-10-6-5-9-18(21)13-17-7-3-2-4-8-17/h2-12,14H,13,15H2,1H3,(H,25,27)
InChIKeyIECRZIGEMRXMKZ-UHFFFAOYSA-N
MW438.32 g/mol
LogP5.26
Rot. Bonds7

About 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide

2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide (PubChem CID 17433681) has the molecular formula C23H20BrNO3 and a molecular weight of 438.32 g/mol. Its IUPAC name is 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide
PubChem CID17433681
Molecular FormulaC23H20BrNO3
Molecular Weight438.32 g/mol
Exact Mass437.06
IUPAC Name2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide
SMILESCC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H20BrNO3/c1-16(26)20-14-19(24)11-12-22(20)28-15-23(27)25-21-10-6-5-9-18(21)13-17-7-3-2-4-8-17/h2-12,14H,13,15H2,1H3,(H,25,27)
InChIKeyIECRZIGEMRXMKZ-UHFFFAOYSA-N
XLogP5.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31895274
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2164227
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide
CID 7924582
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
N-(2-benzylphenyl)-2-(2,3-dichlorophenoxy)acetamide
CID 7787717
2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide
CID 27143091
2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
CID 83135884
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
N-(5-acetamido-2-methoxyphenyl)-2-(2-benzylphenoxy)acetamide
CID 7925379
[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 29342398
N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4942012

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide (CID 17433681) is 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide is CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide?
The InChIKey is IECRZIGEMRXMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO3/c1-16(26)20-14-19(24)11-12-22(20)28-15-23(27)25-21-10-6-5-9-18(21)13-17-7-3-2-4-8-17/h2-12,14H,13,15H2,1H3,(H,25,27).
What are the key properties of 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide?
2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide has a molecular weight of 438.32 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-bromophenoxy)-N-(2-benzylphenyl)acetamide is sourced from PubChem (CID 17433681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).