N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide

C10H10Br3NO3 — CID 43509908

IUPACN-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)NCCO
InChIInChI=1S/C10H10Br3NO3/c11-6-3-7(12)10(8(13)4-6)17-5-9(16)14-1-2-15/h3-4,15H,1-2,5H2,(H,14,16)
InChIKeyJMZQDTXZVFSSSB-UHFFFAOYSA-N
MW431.91 g/mol
LogP2.46
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide

N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide (PubChem CID 43509908) has the molecular formula C10H10Br3NO3 and a molecular weight of 431.91 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide
PubChem CID43509908
Molecular FormulaC10H10Br3NO3
Molecular Weight431.91 g/mol
Exact Mass428.82
IUPAC NameN-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)NCCO
InChIInChI=1S/C10H10Br3NO3/c11-6-3-7(12)10(8(13)4-6)17-5-9(16)14-1-2-15/h3-4,15H,1-2,5H2,(H,14,16)
InChIKeyJMZQDTXZVFSSSB-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 17359500
N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
CID 42977194
2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
CID 43379167
2-(5-bromo-2-fluorophenoxy)-N-(2-hydroxyethyl)acetamide
CID 114675145
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-butylacetamide
CID 107741383
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
N-butyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742106
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107738952
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 102714921
3,5-dibromo-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
CID 107738457
2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163241
N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 44615960

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide (CID 43509908) is N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide is O=C(COc1c(Br)cc(Br)cc1Br)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide?
The InChIKey is JMZQDTXZVFSSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br3NO3/c11-6-3-7(12)10(8(13)4-6)17-5-9(16)14-1-2-15/h3-4,15H,1-2,5H2,(H,14,16).
What are the key properties of N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide?
N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide has a molecular weight of 431.91 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide is sourced from PubChem (CID 43509908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).