N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide

C13H16Br3NO2 — CID 42977194

IUPACN-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
SMILESCC(C)C(C)NC(=O)COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H16Br3NO2/c1-7(2)8(3)17-12(18)6-19-13-10(15)4-9(14)5-11(13)16/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyCQQTXBQYYNXPFF-UHFFFAOYSA-N
MW457.99 g/mol
LogP4.51
Rot. Bonds5

About N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide

N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide (PubChem CID 42977194) has the molecular formula C13H16Br3NO2 and a molecular weight of 457.99 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
PubChem CID42977194
Molecular FormulaC13H16Br3NO2
Molecular Weight457.99 g/mol
Exact Mass454.87
IUPAC NameN-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
SMILESCC(C)C(C)NC(=O)COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H16Br3NO2/c1-7(2)8(3)17-12(18)6-19-13-10(15)4-9(14)5-11(13)16/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyCQQTXBQYYNXPFF-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7696271
5-bromo-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910919
2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 82916940
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 43509908
2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 65472856
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide
CID 107738905
2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 55195038
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612569
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide (CID 42977194) is N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide is CC(C)C(C)NC(=O)COc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide?
The InChIKey is CQQTXBQYYNXPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br3NO2/c1-7(2)8(3)17-12(18)6-19-13-10(15)4-9(14)5-11(13)16/h4-5,7-8H,6H2,1-3H3,(H,17,18).
What are the key properties of N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide?
N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide has a molecular weight of 457.99 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide is sourced from PubChem (CID 42977194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).