Basic information
- Standard SMILES
COC(=O)c1cc(I)c(Cl)cc1NC(=O)Cc1cc(C)cc(C)c1- InChIKey
MTTZVVSMZZBSCE-UHFFFAOYSA-N- Molecular formula
- C18H17ClINO3
- Average molar mass
- 457.7 g/mol
- Monoisotopic mass
- 456.99417
Names & identifiers
- Preferred name
- 4-Chloro-2-[2-(3,5-dimethylphenyl)-acetylamino]-5-iodo-benzoic acid methyl ester
- IUPAC
- methyl 4-chloro-2-[[2-(3,5-dimethylphenyl)acetyl]amino]-5-iodobenzoate
Names & synonyms
199861-83-1SCHEMBL8155099MTTZVVSMZZBSCE-UHFFFAOYSA-NDA-085324-chloro-2-[2-(3,5-dimethylphenyl)-acetylamino]-5-iodo-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 54090916
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Related reactions
5 records
Compound notes
Loading…