5-Chloro-N-(5-methoxy-2-hydroxyphenyl)-2-fluoro-benzamide
Catalog: |
BB070057 |
Product Name: |
5-Chloro-N-(5-methoxy-2-hydroxyphenyl)-2-fluoro-benzamide |
Synonyms: |
5-Chloro-2-fluoro-N-(2-hydroxy-5-methoxyphenyl)benzamide |
IUPAC Name: | 2-chloro-5-fluoro-N-(2-hydroxy-5-methoxyphenyl)benzamide |
Description: | Used in the preparation of Amoxapine (A634230) metabolites and derivatives. |
Molecular Weight: | 295.69 |
Molecular Formula: | C14H11ClFNO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)O)NC(=O)C2=C(C=CC(=C2)F)Cl |
InChI: | InChI=1S/C14H11ClFNO3/c1-20-9-3-5-13(18)12(7-9)17-14(19)10-6-8(16)2-4-11(10)15/h2-7,18H,1H3,(H,17,19) |
InChI Key: | ULXBZYSLYKLCLI-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Methanol |
Appearance: | Grey Solid |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.0411491 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.0411491 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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