N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide

C18H19Br2NO2 — CID 53268539

IUPACN-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccccc2Br)c(Br)c1
InChIInChI=1S/C18H19Br2NO2/c1-18(2,3)12-8-9-15(14(20)10-12)21-17(22)11-23-16-7-5-4-6-13(16)19/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyVJQZERNJJVJASX-UHFFFAOYSA-N
MW441.16 g/mol
LogP5.53
Rot. Bonds4

About N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide

N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide (PubChem CID 53268539) has the molecular formula C18H19Br2NO2 and a molecular weight of 441.16 g/mol. Its IUPAC name is N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide
PubChem CID53268539
Molecular FormulaC18H19Br2NO2
Molecular Weight441.16 g/mol
Exact Mass438.98
IUPAC NameN-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccccc2Br)c(Br)c1
InChIInChI=1S/C18H19Br2NO2/c1-18(2,3)12-8-9-15(14(20)10-12)21-17(22)11-23-16-7-5-4-6-13(16)19/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyVJQZERNJJVJASX-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.16
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenoxy)-N-(2-tert-butylphenyl)acetamide
CID 31277256
2-(2-bromo-4-tert-butylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150986
2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide
CID 2203067
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17350181
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
N-(2-amino-4-methylphenyl)-2-(2-bromophenoxy)acetamide
CID 43376719
N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide
CID 53268422
2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4922415
2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 17350300
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoic acid
CID 54855870
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide (CID 53268539) is N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide is CC(C)(C)c1ccc(NC(=O)COc2ccccc2Br)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide?
The InChIKey is VJQZERNJJVJASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2NO2/c1-18(2,3)12-8-9-15(14(20)10-12)21-17(22)11-23-16-7-5-4-6-13(16)19/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide?
N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide has a molecular weight of 441.16 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide is sourced from PubChem (CID 53268539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).