Ilonidap
Basic information
- CAS
135202-79-8- Standard SMILES
NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(F)c(Cl)cc21- InChIKey
SPQNPQCUZPOZJX-UHFFFAOYSA-N- Molecular formula
- C14H8ClFN2O3S
- Average molar mass
- 338.7 g/mol
- Monoisotopic mass
- 337.9928192
Overview
Ilonidap is a small molecule drug. Ilonidap has a monoisotopic molecular weight of 337.99 Da.
Names & identifiers
- Preferred name
- Ilonidap
- IUPAC
- 6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
- English name
- Ilonidap
- Molecular formula
- C14H8ClFN2O3S
- Molecular weight
- 338.74
Names & synonyms
Ilonidap135202-79-86-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamideCP-72133CP-72,133092R717W8L1H-Indole-1-carboxamide, 6-chloro-5-fluoro-2,3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-, (Z)-CP72133Ilonidap [USAN:INN]UNII-092R717W8L6-Chloro-5-fluoro-3-((Z)-alpha-hydroxy-2-thienylidene)-2-oxo-1-indolinecarboxamide6-Chloro-5-fluoro-3-[(Z)-alpha-hydroxy-2-thienylidene]-2-oxo-1-indolinecarboxamide
Show more names
CP72CP-721H-Indole-1-carboxamide, 6-chloro-5-fluoro-2,3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-, (3Z)-
ILONIDAP [USAN]Ilonidap (USAN/INN)ILONIDAP [INN]SCHEMBL42518orb1696954SCHEMBL8587849SCHEMBL8587853SCHEMBL9192028
Database identifiers
- CAS
135202-79-8- PubChem CID
- 60828
- DTXSID
DTXSID201350886- ChEMBL
CHEMBL3989747- UNII
- 092R717W8L
- Nikkaji
- J615.839K、J702.588B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Boiling point
- 543.6 · 543.6±60.0 °C(Predicted)
- Density
- 1.703 · 1.703±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
- FDA UNII
- 92 R717W8L · 092R717W8L
Chemistry & industry
Applications
UsesAnti-inflammatory.
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Related reactions
0 records
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Compound notes
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