5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-1H-indole-1-carboximidic acid
Basic information
- CAS
100599-27-7- Standard SMILES
NC(=O)N1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21- InChIKey
IGPDWKCUDHIIRL-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O3S
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.002241
Overview
5-chloro-2-oxo-3-[oxo(thiophen-2-yl)methyl]-3H-indole-1-carboxamide is an indolyl carboxylic acid.
Names & identifiers
- Preferred name
- 5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-1H-indole-1-carboximidic acid
- IUPAC
- 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indole-1-carboxamide
- English name
- 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indole-1-carboxamide
- Molecular formula
- C14H9ClN2O3S
- Molecular weight
- 320.75
Names & synonyms
100599-27-7DTXSID509056175-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-1H-indole-1-carboximidic acidRefChem:1072787DTXCID9013347202,3-Dihydro-5-chloro-2-oxo-3-(2-thienylcarbonyl)-1H-indole-1-carboxamide5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indole-1-carboxamide5-Chloro-3-(2-thenoyl)-2-oxindole-1-carboxamide5-chloro-2,3-dihydro-2-oxo-3-(2-thienylcarbonyl)-1H-indole-1-carboxamideI2U1H-Indole-1-carboxamide, 2,3-dihydro-5-chloro-2-oxo-3-(2-thienylcarbonyl)-SCHEMBL24921
Show more names
Cp 662481H-Indole-1-carboxamide, 5-chloro-2,3-dihydro-2-oxo-3-(2-thienylcarbonyl)-
CHEBI:91938IGPDWKCUDHIIRL-UHFFFAOYSA-N5-Chloro-2-oxo-3-(thiophene-2-carbonyl)indoline-1-carboxamideAKOS005166876PD062102BRD-A87479750-001-01-9BRD-A87479750-001-02-7Q27163736
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Boiling point
- 523.9 · 523.9±60.0 °C(Predicted)
- Density
- 1.58 · 1.580±0.06 g/cm3(Predicted)
- pka
- 7.42 · 7.42±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 K7CJ74ONH · 9K7CJ74ONH
Chemistry & industry
Additional notes
DefinitionChEBI: 5-chloro-2-oxo-3-[oxo(thiophen-2-yl)methyl]-3H-indole-1-carboxamide is an indolyl carboxylic acid.
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Related reactions
6 records
Compound notes
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