Basic information
- CAS
4213-51-8- Standard SMILES
C=CC(=O)NCNC(=O)CCBr- InChIKey
CDOUZKKFHVEKRI-UHFFFAOYSA-N- Molecular formula
- C7H11BrN2O2
- Average molar mass
- 235.08 g/mol
- Monoisotopic mass
- 234.00039
Overview
Bromacrylide is a small molecule drug. Bromacrylide has a monoisotopic molecular weight of 234.0 Da.
Names & identifiers
- Preferred name
- Bromacrylide
- IUPAC
- 3-bromo-N-[(prop-2-enoylamino)methyl]propanamide
- English name
- Bromacrylide
- Molecular formula
- C7H11BrN2O2
- Molecular weight
- 235.08
Names & synonyms
Bromacrylide4213-51-8BromacrylidumBromacrylide [INN]NSC-66248BromacrylidaBromacrylidum [INN-Latin]Bromacrylida [INN-Spanish]bromacrilidaNSC 66248CL 36457N-(3-Bromopropionamidomethyl)acrylamide
Show more names
Reaxys ID: 2082863N-[(3-bromopropanoylamino)methyl]acrylamideN-[(3-bromopropanoylamino)methyl]prop-2-enamideN-[[(3-Bromo-1-oxopropyl)amino]methyl]-2-propenamide
BRN 2082863UNII-173648DEO8N-((3-Bromopropionamido)methyl)acrylamide173648DEO8N-(((3-Bromo-1-oxopropyl)amino)methyl)-2-propenamideDTXSID50194968ACRYLAMIDE, N-(3-BROMOPROPIONAMIDOMETHYL)-2-Propenamide, N-(((3-bromo-1-oxopropyl)amino)methyl)-
Database identifiers
- CAS
4213-51-8- PubChem CID
- 20195
- DTXSID
DTXSID50194968- ChEMBL
CHEMBL505254- UNII
- 173648DEO8
- Nikkaji
- J55.354I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- FDA UNII
- 173648 DEO8 · 173648DEO8
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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