2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C24H24BrNO3 — CID 43911105

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1
InChIInChI=1S/C24H24BrNO3/c1-17(2)29-21-11-8-18(9-12-21)15-26-24(27)16-28-23-13-10-20(14-22(23)25)19-6-4-3-5-7-19/h3-14,17H,15-16H2,1-2H3,(H,26,27)
InChIKeyUFRRRBVSUYQDHO-UHFFFAOYSA-N
MW454.36 g/mol
LogP5.60
Rot. Bonds8

About 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 43911105) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID43911105
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1
InChIInChI=1S/C24H24BrNO3/c1-17(2)29-21-11-8-18(9-12-21)15-26-24(27)16-28-23-13-10-20(14-22(23)25)19-6-4-3-5-7-19/h3-14,17H,15-16H2,1-2H3,(H,26,27)
InChIKeyUFRRRBVSUYQDHO-UHFFFAOYSA-N
XLogP5.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-benzyl-4-[2-[2-(2-bromo-4-phenylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 4960797
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911139
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 92676497
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
3-bromo-4-(2-phenylethoxy)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911281
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 46761764
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 43911105) is 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is UFRRRBVSUYQDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-17(2)29-21-11-8-18(9-12-21)15-26-24(27)16-28-23-13-10-20(14-22(23)25)19-6-4-3-5-7-19/h3-14,17H,15-16H2,1-2H3,(H,26,27).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 454.36 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 43911105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).