n-(4-Chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl)benzamide

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Basic information

CAS: 869365-88-8
Standard SMILES: COc1cccc(F)c1C(=O)c1cc(Cl)ccc1NC(=O)c1ccccc1
InChIKey: BMACAERXSPTBSK-UHFFFAOYSA-N
Molecular formula: C21H15ClFNO3
Average molar mass: 383.8 g/mol

Names & identifiers

Preferred name: n-(4-Chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl)benzamide
IUPAC: N-[4-chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl]benzamide
English name: N-(4-chloro-2-(2-fluoro-6-Methoxybenzoyl)phenyl)benzaMide
Molecular formula: C21H15ClFNO3
Molecular weight: 383.8

Names & synonyms

n-(4-chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl)benzamide869365-88-8N-[4-chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl]benzamideC21H15ClFNO3SCHEMBL2705242BMACAERXSPTBSK-UHFFFAOYSA-NAKOS015924653DB-361117N-[4-Chloro-2-(2-fluoro-6-methoxy-benzoyl)-phenyl]-benzamideBenzamide, N-[4-chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl]-

Database identifiers

CAS: 869365-88-8

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 526

Physicochemical properties

Boiling point: 497.3 · 497.3±45.0 °C(Predicted)
Density: 1.339 · 1.339±0.06 g/cm3(Predicted)
pka: 11.91 · 11.91±0.70(Predicted)

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Compound notes

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