3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
Basic information
- CAS
2281-07-4- Standard SMILES
CCNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I- InChIKey
MEEIUFXPBUXITI-UHFFFAOYSA-N- Molecular formula
- C12H11I3N2O4
- Average molar mass
- 627.94 g/mol
- Monoisotopic mass
- 627.7853
Names & identifiers
- Preferred name
- 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
- IUPAC
- 3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
- English name
- 3-Acetylamino-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
- Molecular weight
- 0
Names & synonyms
3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid2281-07-4SCHEMBL9659222SCHEMBL30881050DTXSID202755513-Acetylamino-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
Database identifiers
- CAS
2281-07-4- PubChem CID
- 49781
- DTXSID
DTXSID20275551- Nikkaji
- J41.099C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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