N-(3,5-dichloropyrid-4-yl)-4-difluoromethoxy-8-nitro-dibenzo[b,d]furan-1-carboxamide

HCID 10050271

Notes Reactions

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Basic information

Standard SMILES: O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c2oc3ccc([N+](=O)[O-])cc3c12
InChIKey: JPTXIRPMPDVJTP-UHFFFAOYSA-N
Molecular formula: C19H9Cl2F2N3O5
Average molar mass: 468.2 g/mol

Names & identifiers

Preferred name: N-(3,5-dichloropyrid-4-yl)-4-difluoromethoxy-8-nitro-dibenzo[b,d]furan-1-carboxamide
IUPAC: N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-nitrodibenzofuran-1-carboxamide

Names & synonyms

N-(3,5-dichloropyrid-4-yl)-4-difluoromethoxy-8-nitro-dibenzo[b,d]furan-1-carboxamideSCHEMBL4032324DB-335034685875-02-9N-(3,5-DICHLORO-PYRIDIN-4-YL)-4-DIFLUOROMETHOXY-8-NITRO-DIBENZO[B,D]FURANE-1-CARBOXAMIDE

Database identifiers

PubChem CID: 10050271

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 110 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 31
Formal charge: 0
Complexity: 677

Related reactions

14 records

New reaction record

HRID 100204As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 131593As reactantuspto-grants-2008_06

HRID 144167As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 163568As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 211309As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 746430As reactantuspto-grants-2008_07

HRID 816682As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1139016As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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