| CAS Number | 349118-02-1 |
| Catalog Number | AG00I6WN(AGN-PC-0WOI32) |
| Chemical Name | N-cyclopentyl-3-iodobenzamide |
| IUPAC Name | N-cyclopentyl-3-iodobenzamide |
| InChI | InChI=1S/C12H14INO/c13-10-5-3-4-9(8-10)12(15)14-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2,(H,14,15) |
| InChI Key | LDLVWNMKWKEXNI-UHFFFAOYSA-N |
| MDL Number | MFCD00751462 |
| Molecular Formula | C12H14INO |
| Molecular Weight | 315.1501 |
| SMILES | Ic1cccc(c1)C(=O)NC1CCCC1 |
| Synonyms | N-cyclopentyl-3-iodobenzamide,
349118-02-1,
AC1N1LU7,
Oprea1_470296,
ZINC3093840,
AKOS001136480,
MCULE-3256357106,
NCGC00335147-01,
AB01327725-02,
Z30919887,
ZINC03093840,
CID4007346,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.154g/mol |
| Monoisotopic Mass | 315.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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