Acetic acid, 2-(3-(N-methylpropionamido)-2,4,6-triiodophenoxy)-2-phenyl-
Basic information
- CAS
23189-36-8- Standard SMILES
CCC(=O)N(C)c1c(I)cc(I)c(OC(C(=O)O)c2ccccc2)c1I- InChIKey
RNFAMUAINAMCMY-UHFFFAOYSA-N- Molecular formula
- C18H16I3NO4
- Average molar mass
- 691 g/mol
- Monoisotopic mass
- 690.8214
Names & identifiers
- Preferred name
- Acetic acid, 2-(3-(N-methylpropionamido)-2,4,6-triiodophenoxy)-2-phenyl-
- IUPAC
- 2-phenyl-2-[2,4,6-triiodo-3-[methyl(propanoyl)amino]phenoxy]acetic acid
- English name
- 2-[3-(N-Methylpropionylamino)-2,4,6-triiodophenoxy]-2-phenylacetic acid
- Molecular weight
- 0
Names & synonyms
BRN 291339423189-36-82-(3-(N-Methylpropionamido)-2,4,6-triiodophenoxy)-2-phenylacetic acidAcido 2-(3-N-metilpropionilamino-2,4,6-triiodofenossi)fenilacetico [Italian]Benzeneacetic acid, alpha-(2,4,6-triiodo-3-(methyl(1-oxopropyl)amino)phenoxy)-ACETIC ACID, 2-(3-(N-METHYLPROPIONAMIDO)-2,4,6-TRIIODOPHENOXY)-2-PHENYL-Acido 2-(3-N-metilpropionilamino-2,4,6-triiodofenossi)fenilaceticoRefChem:316447Benzeneacetic acid, alpha-(2,4,6-triiodo-3-(methyl(1-oxopropyl)amino)phenoxy)-(9CI)DTXSID70945858Phenyl[2,4,6-triiodo-3-(N-methylpropanamido)phenoxy]acetic acidPhenyl{2,4,6-triiodo-3-[methyl(propanoyl)amino]phenoxy}acetic acid
Show more names
2-[3-(N-Methylpropionylamino)-2,4,6-triiodophenoxy]-2-phenylacetic acid
Database identifiers
- CAS
23189-36-8- PubChem CID
- 31683
- DTXSID
DTXSID70945858- Nikkaji
- J86.251G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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