2-bromo-N-(propylcarbamoyl)acetamide

C6H11BrN2O2 — CID 81223054

IUPAC2-bromo-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CBr
InChIInChI=1S/C6H11BrN2O2/c1-2-3-8-6(11)9-5(10)4-7/h2-4H2,1H3,(H2,8,9,10,11)
InChIKeyHKKOTEUZZKVDEZ-UHFFFAOYSA-N
MW223.07 g/mol
LogP0.62
Rot. Bonds3

About 2-bromo-N-(propylcarbamoyl)acetamide

2-bromo-N-(propylcarbamoyl)acetamide (PubChem CID 81223054) has the molecular formula C6H11BrN2O2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-bromo-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(propylcarbamoyl)acetamide
PubChem CID81223054
Molecular FormulaC6H11BrN2O2
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC Name2-bromo-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CBr
InChIInChI=1S/C6H11BrN2O2/c1-2-3-8-6(11)9-5(10)4-7/h2-4H2,1H3,(H2,8,9,10,11)
InChIKeyHKKOTEUZZKVDEZ-UHFFFAOYSA-N
XLogP0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 50.62
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-(propylcarbamoyl)butanamide
CID 12936931
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
[2-oxo-2-(propylcarbamoylamino)ethyl] N'-aminocarbamimidothioate
CID 77059910
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide
CID 78962583
2-(azepan-1-ium-1-yl)-N-(propylcarbamoyl)acetamide
CID 8895762
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
3-bromo-N-propylpropanamide
CID 12680973
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide
CID 66116132
1-O-methyl 4-O-[2-oxo-2-(propylcarbamoylamino)ethyl] but-2-enedioate
CID 72529788
ethane;propylcarbamic acid
CID 155733503
2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
CID 146142232

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-bromo-N-(propylcarbamoyl)acetamide (CID 81223054) is 2-bromo-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-bromo-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-bromo-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(propylcarbamoyl)acetamide?
The InChIKey is HKKOTEUZZKVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2O2/c1-2-3-8-6(11)9-5(10)4-7/h2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of 2-bromo-N-(propylcarbamoyl)acetamide?
2-bromo-N-(propylcarbamoyl)acetamide has a molecular weight of 223.07 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 81223054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).