2-(2-bromopropanoylamino)-N-methylpropanamide

C7H13BrN2O2 — CID 107904965

IUPAC2-(2-bromopropanoylamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)C(C)Br
InChIInChI=1S/C7H13BrN2O2/c1-4(8)6(11)10-5(2)7(12)9-3/h4-5H,1-3H3,(H,9,12)(H,10,11)
InChIKeyNRRLFHVTQGUORB-UHFFFAOYSA-N
MW237.10 g/mol
LogP0.02
Rot. Bonds3

About 2-(2-bromopropanoylamino)-N-methylpropanamide

2-(2-bromopropanoylamino)-N-methylpropanamide (PubChem CID 107904965) has the molecular formula C7H13BrN2O2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 2-(2-bromopropanoylamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-bromopropanoylamino)-N-methylpropanamide
PubChem CID107904965
Molecular FormulaC7H13BrN2O2
Molecular Weight237.10 g/mol
Exact Mass236.02
IUPAC Name2-(2-bromopropanoylamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)C(C)Br
InChIInChI=1S/C7H13BrN2O2/c1-4(8)6(11)10-5(2)7(12)9-3/h4-5H,1-3H3,(H,9,12)(H,10,11)
InChIKeyNRRLFHVTQGUORB-UHFFFAOYSA-N
XLogP0.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 50.02
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

L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
2-Acetamidopropanamide
CID 152381
N-Acetylalanyl-N-methylamide
CID 5484387
(S)-2-Acetamidopropanamide
CID 6950965
(2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide
CID 90678145
(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide
CID 165430639
Alanyl-l-alaninamide
CID 7022326
2-Bromo-N-isopropylpropanamide
CID 12509263
N-acetylalanylglycine amide
CID 13996213
L-Alanyl-N-methyl-L-alaninamide
CID 14888125

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropanoylamino)-N-methylpropanamide?
The IUPAC name of 2-(2-bromopropanoylamino)-N-methylpropanamide (CID 107904965) is 2-(2-bromopropanoylamino)-N-methylpropanamide.
What is the SMILES notation for 2-(2-bromopropanoylamino)-N-methylpropanamide?
The canonical SMILES for 2-(2-bromopropanoylamino)-N-methylpropanamide is CNC(=O)C(C)NC(=O)C(C)Br.
What is the InChIKey of 2-(2-bromopropanoylamino)-N-methylpropanamide?
The InChIKey is NRRLFHVTQGUORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2O2/c1-4(8)6(11)10-5(2)7(12)9-3/h4-5H,1-3H3,(H,9,12)(H,10,11).
What are the key properties of 2-(2-bromopropanoylamino)-N-methylpropanamide?
2-(2-bromopropanoylamino)-N-methylpropanamide has a molecular weight of 237.10 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropanoylamino)-N-methylpropanamide is sourced from PubChem (CID 107904965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).