2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide

C25H26BrNO3 — CID 17097332

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C25H26BrNO3/c1-18(2)13-14-29-22-10-6-9-21(16-22)27-25(28)17-30-24-12-11-20(15-23(24)26)19-7-4-3-5-8-19/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,27,28)
InChIKeyUYVUIFXCXTYIMU-UHFFFAOYSA-N
MW468.39 g/mol
LogP6.56
Rot. Bonds9

About 2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide (PubChem CID 17097332) has the molecular formula C25H26BrNO3 and a molecular weight of 468.39 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide
PubChem CID17097332
Molecular FormulaC25H26BrNO3
Molecular Weight468.39 g/mol
Exact Mass467.11
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C25H26BrNO3/c1-18(2)13-14-29-22-10-6-9-21(16-22)27-25(28)17-30-24-12-11-20(15-23(24)26)19-7-4-3-5-8-19/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,27,28)
InChIKeyUYVUIFXCXTYIMU-UHFFFAOYSA-N
XLogP6.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 46761925
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760
2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133202
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
2-(2,4-dibromophenoxy)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 19628723

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide (CID 17097332) is 2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide is CC(C)CCOc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is UYVUIFXCXTYIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO3/c1-18(2)13-14-29-22-10-6-9-21(16-22)27-25(28)17-30-24-12-11-20(15-23(24)26)19-7-4-3-5-8-19/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,27,28).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 468.39 g/mol, XLogP of 6.56, 9 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-[3-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 17097332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).