2-bromo-N-methylbutanamide;hydrochloride

C5H11BrClNO — CID 154809614

IUPAC2-bromo-N-methylbutanamide;hydrochloride
SMILESCCC(Br)C(=O)NC.Cl
InChIInChI=1S/C5H10BrNO.ClH/c1-3-4(6)5(8)7-2;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyWJYLYECPFNOIIU-UHFFFAOYSA-N
MW216.51 g/mol
LogP1.33
Rot. Bonds2

About 2-bromo-N-methylbutanamide;hydrochloride

2-bromo-N-methylbutanamide;hydrochloride (PubChem CID 154809614) has the molecular formula C5H11BrClNO and a molecular weight of 216.51 g/mol. Its IUPAC name is 2-bromo-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-methylbutanamide;hydrochloride
PubChem CID154809614
Molecular FormulaC5H11BrClNO
Molecular Weight216.51 g/mol
Exact Mass214.97
IUPAC Name2-bromo-N-methylbutanamide;hydrochloride
SMILESCCC(Br)C(=O)NC.Cl
InChIInChI=1S/C5H10BrNO.ClH/c1-3-4(6)5(8)7-2;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyWJYLYECPFNOIIU-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.51
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-N,4-dimethylpentanamide
CID 59001731
2-bromobutanoic acid;hydrochloride
CID 87779370
azane;2-bromobutanoic acid;hydrochloride
CID 174726055
2-bromo-N-(3-methylpentan-3-yl)butanamide
CID 106328360
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
(2R)-2-amino-N-methylbutanamide
CID 14888796
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62856180
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
3-bromo-2-(methylcarbamoyloxyimino)pentanoic acid
CID 57243000
(2S)-2-bromobutanamide
CID 51414846
4-bromohexan-3-one
CID 119097290

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methylbutanamide;hydrochloride?
The IUPAC name of 2-bromo-N-methylbutanamide;hydrochloride (CID 154809614) is 2-bromo-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-methylbutanamide;hydrochloride?
The canonical SMILES for 2-bromo-N-methylbutanamide;hydrochloride is CCC(Br)C(=O)NC.Cl.
What is the InChIKey of 2-bromo-N-methylbutanamide;hydrochloride?
The InChIKey is WJYLYECPFNOIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO.ClH/c1-3-4(6)5(8)7-2;/h4H,3H2,1-2H3,(H,7,8);1H.
What are the key properties of 2-bromo-N-methylbutanamide;hydrochloride?
2-bromo-N-methylbutanamide;hydrochloride has a molecular weight of 216.51 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 154809614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).