2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide

C22H20BrNO3 — CID 17086029

IUPAC2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H20BrNO3/c1-16-12-18(23)10-11-21(16)27-15-22(25)24-19-8-5-9-20(13-19)26-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,24,25)
InChIKeyLKNFHYKKIQGQGQ-UHFFFAOYSA-N
MW426.31 g/mol
LogP5.35
Rot. Bonds7

About 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide

2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide (PubChem CID 17086029) has the molecular formula C22H20BrNO3 and a molecular weight of 426.31 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
PubChem CID17086029
Molecular FormulaC22H20BrNO3
Molecular Weight426.31 g/mol
Exact Mass425.06
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H20BrNO3/c1-16-12-18(23)10-11-21(16)27-15-22(25)24-19-8-5-9-20(13-19)26-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,24,25)
InChIKeyLKNFHYKKIQGQGQ-UHFFFAOYSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
CID 28638819
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
N-(3-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17085964
N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17233521
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 17142159
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide (CID 17086029) is 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide is Cc1cc(Br)ccc1OCC(=O)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide?
The InChIKey is LKNFHYKKIQGQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO3/c1-16-12-18(23)10-11-21(16)27-15-22(25)24-19-8-5-9-20(13-19)26-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,24,25).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide?
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide has a molecular weight of 426.31 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 17086029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).