2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide

C19H22BrNO3 — CID 1184414

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c1
InChIInChI=1S/C19H22BrNO3/c1-19(2,3)16-10-13(20)8-9-17(16)24-12-18(22)21-14-6-5-7-15(11-14)23-4/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyPSUQZKOYOFEGGY-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.77
Rot. Bonds5

About 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide

2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide (PubChem CID 1184414) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
PubChem CID1184414
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c1
InChIInChI=1S/C19H22BrNO3/c1-19(2,3)16-10-13(20)8-9-17(16)24-12-18(22)21-14-6-5-7-15(11-14)23-4/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyPSUQZKOYOFEGGY-UHFFFAOYSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
methyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 7707998
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
2-(2,4-ditert-butylphenoxy)-N-(3-ethoxyphenyl)acetamide
CID 17098209
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096794
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide (CID 1184414) is 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c1.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide?
The InChIKey is PSUQZKOYOFEGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-19(2,3)16-10-13(20)8-9-17(16)24-12-18(22)21-14-6-5-7-15(11-14)23-4/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 1184414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).