Basic information
- Standard SMILES
O=C(Nc1ccc(I)cc1C(=O)O)Nc1c(Cl)cccc1Cl- InChIKey
SHBJTQRBBBPJSG-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2IN2O3
- Average molar mass
- 451 g/mol
Names & identifiers
- Preferred name
- 2-[3-(2,6-Dichlorophenyl)ureido]-5-iodobenzoic acid
- IUPAC
- 2-[(2,6-dichlorophenyl)carbamoylamino]-5-iodobenzoic acid
Names & synonyms
SCHEMBL6500701SHBJTQRBBBPJSG-UHFFFAOYSA-N2-[3-(2,6-dichlorophenyl)ureido]-5-iodobenzoic acid
Database identifiers
- PubChem CID
- 23444587
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
4 records
Compound notes
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