2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide

C12H15Br2NO4 — CID 60655130

IUPAC2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)N(CCO)CCO
InChIInChI=1S/C12H15Br2NO4/c13-9-1-2-11(10(14)7-9)19-8-12(18)15(3-5-16)4-6-17/h1-2,7,16-17H,3-6,8H2
InChIKeyHDKLDLVVODBTBO-UHFFFAOYSA-N
MW397.06 g/mol
LogP1.40
Rot. Bonds7

About 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide

2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 60655130) has the molecular formula C12H15Br2NO4 and a molecular weight of 397.06 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID60655130
Molecular FormulaC12H15Br2NO4
Molecular Weight397.06 g/mol
Exact Mass394.94
IUPAC Name2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)N(CCO)CCO
InChIInChI=1S/C12H15Br2NO4/c13-9-1-2-11(10(14)7-9)19-8-12(18)15(3-5-16)4-6-17/h1-2,7,16-17H,3-6,8H2
InChIKeyHDKLDLVVODBTBO-UHFFFAOYSA-N
XLogP1.40
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.06
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902198
2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60653739
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60682396
2-(2-bromo-4-methylphenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483037
4-[[2-(2,4-dibromophenoxy)acetyl]-methylamino]butanoic acid
CID 43092375
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
3-[cyclopropyl-[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 60845588
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940996
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4667979

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide (CID 60655130) is 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide is O=C(COc1ccc(Br)cc1Br)N(CCO)CCO.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is HDKLDLVVODBTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO4/c13-9-1-2-11(10(14)7-9)19-8-12(18)15(3-5-16)4-6-17/h1-2,7,16-17H,3-6,8H2.
What are the key properties of 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 397.06 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 60655130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).