Benzamide, 2-chloro-N-(((5-chloro-2-pyridinyl)amino)carbonyl)-6-fluoro-

HCID 174171

Notes Reactions

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Basic information

CAS: 79489-52-4
Standard SMILES: O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(Cl)cn1
InChIKey: DLAVTMVCKCOPFJ-UHFFFAOYSA-N
Molecular formula: C13H8Cl2FN3O2
Average molar mass: 328.12 g/mol
Monoisotopic mass: 326.99776008

Names & identifiers

Preferred name: Benzamide, 2-chloro-N-(((5-chloro-2-pyridinyl)amino)carbonyl)-6-fluoro-
IUPAC: 2-chloro-N-[(5-chloro-2-pyridinyl)carbamoyl]-6-fluorobenzamide

Names & synonyms

79489-52-4Benzamide, 2-chloro-N-(((5-chloro-2-pyridinyl)amino)carbonyl)-6-fluoro-DTXSID7073648Benzamide, 2-chloro-N-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-fluoro-RefChem:321394DTXCID9048148SCHEMBL11096424DLAVTMVCKCOPFJ-UHFFFAOYSA-N2-chloro-N-[(5-chloropyridin-2-yl)carbamoyl]-6-fluorobenzamide1-(2-CHLORO-6-FLUOROBENZOYL)-3-(5-CHLORO-2-PYRIDINYL)UREA

Database identifiers

CAS: 79489-52-4
PubChem CID: 174171
DTXSID: DTXSID7073648

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 71.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 400

Related reactions

9 records

New reaction record

HRID 180292As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 938107As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1218938As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1278178As productuspto-grants-1981_07

HRID 1278184As productuspto-grants-1981_07

HRID 1278188As productuspto-grants-1981_07

HRID 1758925As productuspto-grants-1982_07

HRID 1758931As productuspto-grants-1982_07

Compound notes

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