| CAS Number | 954269-93-3 |
| Catalog Number | AG019W9T |
| Chemical Name | N-[4-(1-aminoethyl)phenyl]-4-fluorobenzamide |
| IUPAC Name | N-[4-(1-aminoethyl)phenyl]-4-fluorobenzamide |
| InChI | InChI=1S/C15H15FN2O/c1-10(17)11-4-8-14(9-5-11)18-15(19)12-2-6-13(16)7-3-12/h2-10H,17H2,1H3,(H,18,19) |
| InChI Key | ARVMPEBHNLZTOL-UHFFFAOYSA-N |
| MDL Number | MFCD09737062 |
| Molecular Formula | C15H15FN2O |
| Molecular Weight | 258.2908 |
| SMILES | CC(C1=CC=C(NC(C2=CC=C(F)C=C2)=O)C=C1)N |
| Synonyms | N-[4-(1-aminoethyl)phenyl]-4-fluorobenzamide,
954269-93-3,
AC1Q2B8E,
SCHEMBL4182502,
CTK7B9804,
AKOS000142820,
MCULE-2535468184,
NE14358,
EN300-51167,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.296g/mol |
| Monoisotopic Mass | 258.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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