Basic information
- CAS
67032-30-8- Standard SMILES
CCCC(=O)Nc1c(I)c(NC(=O)CCC)c(I)c(C(=O)O)c1I- InChIKey
MTYCANXGXKRMAI-UHFFFAOYSA-N- Molecular formula
- C15H17I3N2O4
- Average molar mass
- 670.02 g/mol
- Monoisotopic mass
- 669.8322
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dibutyramido-2,4,6-triiodo-
- IUPAC
- 3,5-bis(butanoylamino)-2,4,6-triiodobenzoic acid
- English name
- 3,5-Bis(butyrylamino)-2,4,6-triiodobenzoic acid
- Molecular formula
- C15H17I3N2O4
- Molecular weight
- 670.02
Names & synonyms
BRN 3475452BENZOIC ACID, 3,5-DIBUTYRAMIDO-2,4,6-TRIIODO-67032-30-83,5-Dibutyramido-2,4,6-triiodobenzoic acidDTXSID802173114-14-00-01309 (Beilstein Handbook Reference)RefChem:327048DTXCID801398023,5-dibutanamido-2,4,6-triiodobenzoic acidSCHEMBL308810513,5-Bis(butyrylamino)-2,4,6-triiodobenzoic acidBenzoic acid, 2,4,6-triiodo-3,5-bis[(1-oxobutyl)amino]-
Database identifiers
- CAS
67032-30-8- PubChem CID
- 49014
- DTXSID
DTXSID80217311- Nikkaji
- J73.941C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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