2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide

C19H21Br2NO2 — CID 19227918

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C
InChIInChI=1S/C19H21Br2NO2/c1-12-9-13(20)5-7-16(12)22-18(23)11-24-17-8-6-14(21)10-15(17)19(2,3)4/h5-10H,11H2,1-4H3,(H,22,23)
InChIKeyWPMZENFPXUJPRB-UHFFFAOYSA-N
MW455.19 g/mol
LogP5.84
Rot. Bonds4

About 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide

2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 19227918) has the molecular formula C19H21Br2NO2 and a molecular weight of 455.19 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID19227918
Molecular FormulaC19H21Br2NO2
Molecular Weight455.19 g/mol
Exact Mass452.99
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C
InChIInChI=1S/C19H21Br2NO2/c1-12-9-13(20)5-7-16(12)22-18(23)11-24-17-8-6-14(21)10-15(17)19(2,3)4/h5-10H,11H2,1-4H3,(H,22,23)
InChIKeyWPMZENFPXUJPRB-UHFFFAOYSA-N
XLogP5.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.19
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1184481
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 17051590
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
methyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 7707998
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
2-(2-acetamido-5-acetylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 24534074
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide (CID 19227918) is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide is Cc1cc(Br)ccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is WPMZENFPXUJPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2NO2/c1-12-9-13(20)5-7-16(12)22-18(23)11-24-17-8-6-14(21)10-15(17)19(2,3)4/h5-10H,11H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 455.19 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 19227918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).