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5-Chloro-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)thiophene-2-carboxamide

HCID 4135740
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Basic information

Standard SMILES
O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)s1
InChIKey
QKQLMNATBNLYIT-UHFFFAOYSA-N
Molecular formula
C13H7ClN2O3S
Average molar mass
306.72 g/mol

Names & identifiers

Preferred name
5-Chloro-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)thiophene-2-carboxamide
IUPAC
5-chloro-N-(1,3-dioxoisoindol-4-yl)thiophene-2-carboxamide

Names & synonyms

476208-98-75-Chloro-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)thiophene-2-carboxamideSCHEMBL3379082QKQLMNATBNLYIT-UHFFFAOYSA-N5-chloro-N-(1,3-dioxoisoindol-4-yl)thiophene-2-carboxamideAKOS024574789F0174-03495-chloro-N-(1,3-dioxoisoindolin-4-yl)thiophene-2-carboxamide5-chloro-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-2-thiophenecarboxamide

Database identifiers

PubChem CID
4135740

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Formal charge
0
Complexity
459

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Related reactions

13 records
New reaction record
HRID 122671 reaction equation
HRID 122671As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 170279 reaction equation
HRID 170279As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 457747 reaction equation
HRID 457747As reactantuspto-grants-2007_03
HRID 457748 reaction equation
HRID 457748As reactantuspto-grants-2007_03
HRID 585501 reaction equation
HRID 585501As reactantuspto-grants-2005_08
HRID 585509 reaction equation
HRID 585509As reactantuspto-grants-2005_08
HRID 799736 reaction equation
HRID 799736As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 813373 reaction equation
HRID 813373As reactantTest data from https://doi.org/10.1039/C8SC04228D
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Compound notes

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