2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide

C18H19Br2NO2 — CID 17189524

IUPAC2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccccc2Br)c(Br)c1
InChIInChI=1S/C18H19Br2NO2/c1-3-12(2)13-8-9-17(15(20)10-13)23-11-18(22)21-16-7-5-4-6-14(16)19/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyOEADFRFDFAWYPE-UHFFFAOYSA-N
MW441.16 g/mol
LogP5.74
Rot. Bonds6

About 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide

2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide (PubChem CID 17189524) has the molecular formula C18H19Br2NO2 and a molecular weight of 441.16 g/mol. Its IUPAC name is 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
PubChem CID17189524
Molecular FormulaC18H19Br2NO2
Molecular Weight441.16 g/mol
Exact Mass438.98
IUPAC Name2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccccc2Br)c(Br)c1
InChIInChI=1S/C18H19Br2NO2/c1-3-12(2)13-8-9-17(15(20)10-13)23-11-18(22)21-16-7-5-4-6-14(16)19/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyOEADFRFDFAWYPE-UHFFFAOYSA-N
XLogP5.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.16
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 17189623
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 17189556
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17189631
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17189648
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 17189571
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189717
N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17189464
2-(2-bromo-4-butan-2-ylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17189744
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194226
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide
CID 19201746
2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 17189496

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide (CID 17189524) is 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccccc2Br)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide?
The InChIKey is OEADFRFDFAWYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2NO2/c1-3-12(2)13-8-9-17(15(20)10-13)23-11-18(22)21-16-7-5-4-6-14(16)19/h4-10,12H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide?
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide has a molecular weight of 441.16 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 17189524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).