2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide

C5H9BrF2N2O — CID 130551934

IUPAC2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
SMILESCC(N)C(=O)NCC(F)(F)Br
InChIInChI=1S/C5H9BrF2N2O/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyGOLZFORCBRXCJP-UHFFFAOYSA-N
MW231.04 g/mol
LogP0.44
Rot. Bonds3

About 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide

2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide (PubChem CID 130551934) has the molecular formula C5H9BrF2N2O and a molecular weight of 231.04 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
PubChem CID130551934
Molecular FormulaC5H9BrF2N2O
Molecular Weight231.04 g/mol
Exact Mass229.99
IUPAC Name2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
SMILESCC(N)C(=O)NCC(F)(F)Br
InChIInChI=1S/C5H9BrF2N2O/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyGOLZFORCBRXCJP-UHFFFAOYSA-N
XLogP0.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
CID 119344448
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826
(2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
CID 86677924
(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
CID 119343168
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
CID 78952829
(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
CID 119328873

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide?
The IUPAC name of 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide (CID 130551934) is 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide?
The canonical SMILES for 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide is CC(N)C(=O)NCC(F)(F)Br.
What is the InChIKey of 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide?
The InChIKey is GOLZFORCBRXCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrF2N2O/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide?
2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide has a molecular weight of 231.04 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide is sourced from PubChem (CID 130551934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).