| CAS Number | 953749-45-6 |
| Catalog Number | AG019UHB |
| Chemical Name | N-[3-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide |
| IUPAC Name | N-[3-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide |
| InChI | InChI=1S/C16H17FN2O/c1-11(18)12-6-4-7-14(9-12)19-16(20)10-13-5-2-3-8-15(13)17/h2-9,11H,10,18H2,1H3,(H,19,20) |
| InChI Key | MSAWHMUMJSILBI-UHFFFAOYSA-N |
| MDL Number | MFCD09728250 |
| Molecular Formula | C16H17FN2O |
| Molecular Weight | 272.3174 |
| SMILES | CC(C1=CC(NC(CC2=C(F)C=CC=C2)=O)=CC=C1)N |
| Synonyms | N-[3-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide,
953749-45-6,
EN300-41673,
AC1Q2B7N,
CTK7G1230,
AKOS000137377,
AKOS016903568,
MCULE-3028686693,
NE62464,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.323g/mol |
| Monoisotopic Mass | 272.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number