Basic information
- Standard SMILES
CNC(=O)C(C(=O)OC)N(C)C(=O)c1ccc(I)cc1- InChIKey
SXKOWVJOOYZJDS-UHFFFAOYSA-N- Molecular formula
- C13H15IN2O4
- Average molar mass
- 390.17 g/mol
Names & identifiers
- Preferred name
- 1-Iodo-4-{[1-methoxy-3-(methylamino)-1,3-dioxopropan-2-yl](methyl)carbamoyl}benzene
- IUPAC
- methyl 2-[(4-iodobenzoyl)-methylamino]-3-(methylamino)-3-oxopropanoate
Names & synonyms
SCHEMBL14714542SXKOWVJOOYZJDS-UHFFFAOYSA-N1-iodo-4-{[1-methoxy-3-(methylamino)-1,3-dioxopropan-2-yl](methyl)carbamoyl}benzene
Database identifiers
- PubChem CID
- 71268149
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Related reactions
2 records
Compound notes
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