2-bromo-N-(2-oxopropyl)acetamide

C5H8BrNO2 — CID 21339518

IUPAC2-bromo-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)CBr
InChIInChI=1S/C5H8BrNO2/c1-4(8)3-7-5(9)2-6/h2-3H2,1H3,(H,7,9)
InChIKeyGWFSWUFHVHOGTH-UHFFFAOYSA-N
MW194.03 g/mol
LogP0.09
Rot. Bonds3

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

2-bromo-N-(2-oxopropyl)acetamide (PubChem CID 21339518) has the molecular formula C5H8BrNO2 and a molecular weight of 194.03 g/mol. Its IUPAC name is 2-bromo-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-oxopropyl)acetamide
PubChem CID21339518
Molecular FormulaC5H8BrNO2
Molecular Weight194.03 g/mol
Exact Mass192.97
IUPAC Name2-bromo-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)CBr
InChIInChI=1S/C5H8BrNO2/c1-4(8)3-7-5(9)2-6/h2-3H2,1H3,(H,7,9)
InChIKeyGWFSWUFHVHOGTH-UHFFFAOYSA-N
XLogP0.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.03
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxopropyl)propanamide
CID 23550155
2-[(2-bromoacetyl)amino]-N-ethylacetamide
CID 58987159
2-bromo-N-(3-oxobutyl)acetamide
CID 58311881
2-fluoro-N-(2-oxopropyl)acetamide
CID 171093326
1-bromopropan-2-one;ethane
CID 171800976
2-[(2-bromoacetyl)amino]-N-butylacetamide
CID 82110073
methyl 6-oxo-6-(2-oxopropylamino)hexanoate
CID 166976916
2-methylsulfonyl-N-(2-oxopropyl)acetamide
CID 64996729
N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
CID 21339517
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660
2-bromo-N-(iodomethyl)acetamide
CID 89129091
2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(2-oxopropylamino)ethyl]amino]acetic acid;iron(2+)
CID 59081063

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-bromo-N-(2-oxopropyl)acetamide (CID 21339518) is 2-bromo-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-oxopropyl)acetamide is CC(=O)CNC(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-oxopropyl)acetamide?
The InChIKey is GWFSWUFHVHOGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrNO2/c1-4(8)3-7-5(9)2-6/h2-3H2,1H3,(H,7,9).
What are the key properties of 2-bromo-N-(2-oxopropyl)acetamide?
2-bromo-N-(2-oxopropyl)acetamide has a molecular weight of 194.03 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 21339518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).