2-bromo-2-(2-hydroxyethoxy)acetamide

C4H8BrNO3 — CID 175386599

IUPAC2-bromo-2-(2-hydroxyethoxy)acetamide
SMILESNC(=O)C(Br)OCCO
InChIInChI=1S/C4H8BrNO3/c5-3(4(6)8)9-2-1-7/h3,7H,1-2H2,(H2,6,8)
InChIKeyJVFZTNMTZPFODX-UHFFFAOYSA-N
MW198.02 g/mol
LogP-0.80
Rot. Bonds4

About 2-bromo-2-(2-hydroxyethoxy)acetamide

2-bromo-2-(2-hydroxyethoxy)acetamide (PubChem CID 175386599) has the molecular formula C4H8BrNO3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 2-bromo-2-(2-hydroxyethoxy)acetamide.

Molecular Properties

Compound Name2-bromo-2-(2-hydroxyethoxy)acetamide
PubChem CID175386599
Molecular FormulaC4H8BrNO3
Molecular Weight198.02 g/mol
Exact Mass196.97
IUPAC Name2-bromo-2-(2-hydroxyethoxy)acetamide
SMILESNC(=O)C(Br)OCCO
InChIInChI=1S/C4H8BrNO3/c5-3(4(6)8)9-2-1-7/h3,7H,1-2H2,(H2,6,8)
InChIKeyJVFZTNMTZPFODX-UHFFFAOYSA-N
XLogP-0.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-bromo-2,2-dimethylpropoxy)ethanol
CID 174323230
2,3-bis(2-hydroxyethoxy)butanedioic acid
CID 174652716
azido 2-azido-2-(2-hydroxyethoxy)acetate
CID 175327639
methyl 2-(2-hydroxyethoxy)propanoate
CID 15099863
2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid
CID 118435325
3-(2-hydroxyethoxy)pentanedioic acid
CID 87839314
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 87940620
(2S)-2-bromobutanamide
CID 51414846
2,4-dibromo-4-ethoxybutanamide
CID 91329189
2-(2-hydroxyethoxy)propanoate
CID 19884519
2-bromopropanediamide
CID 13271628
2-(3-aminobutan-2-yloxy)ethanol
CID 142952551

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(2-hydroxyethoxy)acetamide?
The IUPAC name of 2-bromo-2-(2-hydroxyethoxy)acetamide (CID 175386599) is 2-bromo-2-(2-hydroxyethoxy)acetamide.
What is the SMILES notation for 2-bromo-2-(2-hydroxyethoxy)acetamide?
The canonical SMILES for 2-bromo-2-(2-hydroxyethoxy)acetamide is NC(=O)C(Br)OCCO.
What is the InChIKey of 2-bromo-2-(2-hydroxyethoxy)acetamide?
The InChIKey is JVFZTNMTZPFODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO3/c5-3(4(6)8)9-2-1-7/h3,7H,1-2H2,(H2,6,8).
What are the key properties of 2-bromo-2-(2-hydroxyethoxy)acetamide?
2-bromo-2-(2-hydroxyethoxy)acetamide has a molecular weight of 198.02 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2-hydroxyethoxy)acetamide is sourced from PubChem (CID 175386599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).