| CAS Number | 1049745-40-5 |
| Catalog Number | AG019P82 |
| Chemical Name | 2-[4-(chloroacetyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide hydrochloride |
| IUPAC Name | 2-[4-(2-chloroacetyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide;hydrochloride |
| InChI | InChI=1S/C14H17ClFN3O2.ClH/c15-9-14(21)19-7-5-18(6-8-19)10-13(20)17-12-3-1-11(16)2-4-12;/h1-4H,5-10H2,(H,17,20);1H |
| InChI Key | CVRJQHVANYIYRX-UHFFFAOYSA-N |
| MDL Number | MFCD08457588 |
| Molecular Formula | C14H18Cl2FN3O2 |
| Molecular Weight | 350.2160 |
| SMILES | Cl.FC1=CC=C(NC(CN2CCN(C(CCl)=O)CC2)=O)C=C1 |
| Synonyms | 2-[4-(2-chloroacetyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide hydrochloride,
1049745-40-5,
2-[4-(chloroacetyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide hydrochloride,
AC1Q3CAT,
CTK6H5091,
AKOS030685938,
MCULE-6546502983,
NE33566,
EN300-22596,
Z220564344,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.215g/mol |
| Monoisotopic Mass | 349.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number