Basic information
- Standard SMILES
CCOC(=O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(I)c(Cl)c2)cn1- InChIKey
PNDWXHIOYKZSRB-UHFFFAOYSA-N- Molecular formula
- C24H21ClF2IN3O3
- Average molar mass
- 599.8 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(5-(2-(((3-chloro-4-iodophenyl)amino)methyl)-4,5-difluorophenyl)picolinamido)propanoate
- IUPAC
- ethyl 3-[[5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carbonyl]amino]propanoate
Names & synonyms
SCHEMBL14055177PNDWXHIOYKZSRB-UHFFFAOYSA-Nethyl 3-(5-(2-(((3-chloro-4-iodophenyl)amino)methyl)-4,5-difluorophenyl)picolinamido)propanoate
Database identifiers
- PubChem CID
- 71060063
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 679
Related reactions
2 records
Compound notes
Loading…