| CAS Number | 709676-56-2 |
| Catalog Number | AG01E53R |
| Chemical Name | N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-propoxybenzamide |
| IUPAC Name | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propoxybenzamide |
| InChI | InChI=1S/C17H15ClF3NO2/c1-2-9-24-15-6-4-3-5-12(15)16(23)22-11-7-8-14(18)13(10-11)17(19,20)21/h3-8,10H,2,9H2,1H3,(H,22,23) |
| InChI Key | AQJBXYBDNZHZRE-UHFFFAOYSA-N |
| MDL Number | MFCD34565070 |
| Molecular Formula | C17H15ClF3NO2 |
| Molecular Weight | 357.7547 |
| SMILES | ClC1=C(C=C(C=C1)NC(C1=C(C=CC=C1)OCCC)=O)C(F)(F)F |
| Synonyms | SCHEMBL2947224,
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propoxybenzamide,
n-(4-chloro-3-trifluoromethyl-phenyl)-2-n-propoxy-benzamide,
709676-56-2,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.757g/mol |
| Monoisotopic Mass | 357.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
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