Basic information
- Standard SMILES
CCCN(C)C(=O)c1cc(I)cc(C(=O)OC)c1- InChIKey
CENBYIURKUAAKV-UHFFFAOYSA-N- Molecular formula
- C13H16INO3
- Average molar mass
- 361.17 g/mol
Names & identifiers
- Preferred name
- Methyl 3-iodo-5-{[methyl(propyl)amino]carbonyl}benzoate
- IUPAC
- methyl 3-iodo-5-[methyl(propyl)carbamoyl]benzoate
Names & synonyms
SCHEMBL3355550CENBYIURKUAAKV-UHFFFAOYSA-N5-iodo-N-methyl-N-propyl-isophthalamic acid methyl esterMethyl 3-iodo-5-{[methyl(propyl)amino]carbonyl}benzoate
Database identifiers
- PubChem CID
- 21086185
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
25 records
Compound notes
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