Methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate - CAS 1381944-66-6
Catalog: |
BB076000 |
Product Name: |
Methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate |
CAS: |
1381944-66-6 |
Synonyms: |
Methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate; Methyl 4'-(ethylcarbamoyl)-2,3'-difluoro-[1,1'-biphenyl]-3-carboxylate; Methyl4'-(ethylcarbamoyl)-2,3'-difluoro-[1,1'-biphenyl]-3-carboxylate |
IUPAC Name: | methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate |
Description: | Methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate |
Molecular Weight: | 319.3 |
Molecular Formula: | C17H15F2NO3 |
Canonical SMILES: | CCNC(=O)C1=C(C=C(C=C1)C2=C(C(=CC=C2)C(=O)OC)F)F |
InChI: | InChI=1S/C17H15F2NO3/c1-3-20-16(21)12-8-7-10(9-14(12)18)11-5-4-6-13(15(11)19)17(22)23-2/h4-9H,3H2,1-2H3,(H,20,21) |
InChI Key: | FAWNCHMMDLYRDZ-UHFFFAOYSA-N |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 319.10199966 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 319.10199966 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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