2-bromo-N-(2-hydroxypropyl)acetamide

C5H10BrNO2 — CID 63679537

IUPAC2-bromo-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)CBr
InChIInChI=1S/C5H10BrNO2/c1-4(8)3-7-5(9)2-6/h4,8H,2-3H2,1H3,(H,7,9)
InChIKeyOVCVXNCYOYGUQA-UHFFFAOYSA-N
MW196.04 g/mol
LogP-0.12
Rot. Bonds3

About 2-bromo-N-(2-hydroxypropyl)acetamide

2-bromo-N-(2-hydroxypropyl)acetamide (PubChem CID 63679537) has the molecular formula C5H10BrNO2 and a molecular weight of 196.04 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxypropyl)acetamide
PubChem CID63679537
Molecular FormulaC5H10BrNO2
Molecular Weight196.04 g/mol
Exact Mass194.99
IUPAC Name2-bromo-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)CBr
InChIInChI=1S/C5H10BrNO2/c1-4(8)3-7-5(9)2-6/h4,8H,2-3H2,1H3,(H,7,9)
InChIKeyOVCVXNCYOYGUQA-UHFFFAOYSA-N
XLogP-0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.04
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
2-bromo-N-[2-(dimethylamino)propyl]acetamide
CID 63679918
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
[2-(2-hydroxypropylamino)-2-oxoethyl] acetate
CID 53418750
3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978
N'-hydroxy-N-(2-hydroxypropyl)butanediamide
CID 86244799
(2S)-4-(2-hydroxypropylamino)-2-(methylamino)-4-oxobutanoic acid
CID 59693559
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
CID 43418189
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
2-bromo-N-[(2-methylpropylamino)methyl]acetamide
CID 142215983

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-bromo-N-(2-hydroxypropyl)acetamide (CID 63679537) is 2-bromo-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-hydroxypropyl)acetamide?
The InChIKey is OVCVXNCYOYGUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO2/c1-4(8)3-7-5(9)2-6/h4,8H,2-3H2,1H3,(H,7,9).
What are the key properties of 2-bromo-N-(2-hydroxypropyl)acetamide?
2-bromo-N-(2-hydroxypropyl)acetamide has a molecular weight of 196.04 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 63679537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).