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

C12H16BrNO4 — CID 773820

IUPAC2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)N(CCO)CCO
InChIInChI=1S/C12H16BrNO4/c13-10-1-3-11(4-2-10)18-9-12(17)14(5-7-15)6-8-16/h1-4,15-16H,5-9H2
InChIKeyDMHZDQLIVCTMKQ-UHFFFAOYSA-N
MW318.17 g/mol
LogP0.64
Rot. Bonds7

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

2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 773820) has the molecular formula C12H16BrNO4 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID773820
Molecular FormulaC12H16BrNO4
Molecular Weight318.17 g/mol
Exact Mass317.03
IUPAC Name2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)N(CCO)CCO
InChIInChI=1S/C12H16BrNO4/c13-10-1-3-11(4-2-10)18-9-12(17)14(5-7-15)6-8-16/h1-4,15-16H,5-9H2
InChIKeyDMHZDQLIVCTMKQ-UHFFFAOYSA-N
XLogP0.64
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide (CID 773820) is 2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide is O=C(COc1ccc(Br)cc1)N(CCO)CCO.
What is the InChIKey of 2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is DMHZDQLIVCTMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4/c13-10-1-3-11(4-2-10)18-9-12(17)14(5-7-15)6-8-16/h1-4,15-16H,5-9H2.
What are the key properties of 2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 318.17 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 773820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).