2-difluoromethyl-4-hydroxy-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amide

HCID 59560416

Notes Reactions

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Basic information

Standard SMILES: Cn1ccc(NC(=O)c2cc(O)c3c(c2)OC(C(F)F)C3)n1
InChIKey: HSTKKXPZBTUTCA-UHFFFAOYSA-N
Molecular formula: C14H13F2N3O3
Average molar mass: 309.27 g/mol

Names & identifiers

Preferred name: 2-difluoromethyl-4-hydroxy-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amide
IUPAC: 2-(difluoromethyl)-4-hydroxy-N-(1-methylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-6-carboxamide

Names & synonyms

2-difluoromethyl-4-hydroxy-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amideSCHEMBL643549

Database identifiers

PubChem CID: 59560416

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 76.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 426

Related reactions

11 records

New reaction record

HRID 155246As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183977As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 699631As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1177227As reactantuspto-grants-2010_11

HRID 1177228As productuspto-grants-2010_11

HRID 1177230As reactantuspto-grants-2010_11

HRID 1177231As reactantuspto-grants-2010_11

HRID 1540246As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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