2-bromo-N-carbamoylbutanamide

C5H9BrN2O2 — CID 541919

IUPAC2-bromo-N-carbamoylbutanamide
SMILESCCC(Br)C(=O)NC(N)=O
InChIInChI=1S/C5H9BrN2O2/c1-2-3(6)4(9)8-5(7)10/h3H,2H2,1H3,(H3,7,8,9,10)
InChIKeyIZKDMIHKDSUSHO-UHFFFAOYSA-N
MW209.04 g/mol
LogP0.35
Rot. Bonds2

About 2-bromo-N-carbamoylbutanamide

2-bromo-N-carbamoylbutanamide (PubChem CID 541919) has the molecular formula C5H9BrN2O2 and a molecular weight of 209.04 g/mol. Its IUPAC name is 2-bromo-N-carbamoylbutanamide.

Molecular Properties

Compound Name2-bromo-N-carbamoylbutanamide
PubChem CID541919
Molecular FormulaC5H9BrN2O2
Molecular Weight209.04 g/mol
Exact Mass207.98
IUPAC Name2-bromo-N-carbamoylbutanamide
SMILESCCC(Br)C(=O)NC(N)=O
InChIInChI=1S/C5H9BrN2O2/c1-2-3(6)4(9)8-5(7)10/h3H,2H2,1H3,(H3,7,8,9,10)
InChIKeyIZKDMIHKDSUSHO-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 50.35
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

Bromovalerylurea
CID 2447
Hoggar
CID 6488
Acecarbromal
CID 6489
(R)-2-bromoisovalerylurea
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1-(2-Bromo-2-methylpropionyl)urea
CID 559368
3-Bromo-n-carbamoylpropanamide
CID 233590
Bromisoval, (S)-
CID 735997
2-Bromohexanoylurea
CID 12937418
5-bromo-N-carbamoylpentanamide
CID 14517398
4-bromo-N-carbamoyl-3-methylbutanamide
CID 20245117
2-Bromo-n-carbamoyl-3,3-dimethylbutanamide
CID 245594
Pentanamide, N-(aminocarbonyl)-2-bromo-
CID 12408431

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-carbamoylbutanamide?
The IUPAC name of 2-bromo-N-carbamoylbutanamide (CID 541919) is 2-bromo-N-carbamoylbutanamide.
What is the SMILES notation for 2-bromo-N-carbamoylbutanamide?
The canonical SMILES for 2-bromo-N-carbamoylbutanamide is CCC(Br)C(=O)NC(N)=O.
What is the InChIKey of 2-bromo-N-carbamoylbutanamide?
The InChIKey is IZKDMIHKDSUSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN2O2/c1-2-3(6)4(9)8-5(7)10/h3H,2H2,1H3,(H3,7,8,9,10).
What are the key properties of 2-bromo-N-carbamoylbutanamide?
2-bromo-N-carbamoylbutanamide has a molecular weight of 209.04 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-carbamoylbutanamide is sourced from PubChem (CID 541919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).