2-bromo-N-carbamoyl-3-methylbutanamide

C6H11BrN2O2 — CID 2447

IUPAC2-bromo-N-carbamoyl-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC(N)=O
InChIInChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyCMCCHHWTTBEZNM-UHFFFAOYSA-N
MW223.07 g/mol
LogP0.60
Rot. Bonds2

About 2-bromo-N-carbamoyl-3-methylbutanamide

2-bromo-N-carbamoyl-3-methylbutanamide (PubChem CID 2447) has the molecular formula C6H11BrN2O2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-bromo-N-carbamoyl-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-carbamoyl-3-methylbutanamide
PubChem CID2447
Molecular FormulaC6H11BrN2O2
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC Name2-bromo-N-carbamoyl-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC(N)=O
InChIInChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyCMCCHHWTTBEZNM-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 50.60
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

Hoggar
CID 6488
Acecarbromal
CID 6489
(R)-2-bromoisovalerylurea
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Tenebral
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Bromisoval, (S)-
CID 735997
1-(2-Bromobutyryl)urea
CID 541919
4-bromo-N-carbamoyl-3-methylbutanamide
CID 20245117
2-Bromo-n-carbamoyl-3,3-dimethylbutanamide
CID 245594
Pentanamide, N-(aminocarbonyl)-2-bromo-
CID 12408431
2-Bromo-2-methylbutyryl urea
CID 85656815
Brombutyrylharnstoff
CID 129645119
2-bromo-N-carbamoyl-3-ethylpentanamide
CID 4558676

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-carbamoyl-3-methylbutanamide?
The IUPAC name of 2-bromo-N-carbamoyl-3-methylbutanamide (CID 2447) is 2-bromo-N-carbamoyl-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-carbamoyl-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-carbamoyl-3-methylbutanamide is CC(C)C(Br)C(=O)NC(N)=O.
What is the InChIKey of 2-bromo-N-carbamoyl-3-methylbutanamide?
The InChIKey is CMCCHHWTTBEZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-bromo-N-carbamoyl-3-methylbutanamide?
2-bromo-N-carbamoyl-3-methylbutanamide has a molecular weight of 223.07 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-carbamoyl-3-methylbutanamide is sourced from PubChem (CID 2447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).