| CAS Number | 885279-88-9 |
| Catalog Number | AG004595(AGN-PC-09RRFY) |
| Chemical Name | 4-Chloro-2-methoxy-N-[2-(4-methoxy-phenyl)-ethyl]-benzamide |
| IUPAC Name | 4-chloro-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide |
| InChI | InChI=1S/C17H18ClNO3/c1-21-14-6-3-12(4-7-14)9-10-19-17(20)15-8-5-13(18)11-16(15)22-2/h3-8,11H,9-10H2,1-2H3,(H,19,20) |
| InChI Key | UQDHBQGJXWZFHB-UHFFFAOYSA-N |
| MDL Number | MFCD06658464 |
| Molecular Formula | C17H18ClNO3 |
| Molecular Weight | 319.7827 |
| SMILES | COc1cc(Cl)ccc1C(=O)NCCc1ccc(cc1)OC |
| Synonyms | 885279-88-9,
4-Chloro-2-methoxy-N-(4-methoxyphenethyl)benzamide,
4-CHLORO-2-METHOXY-N-[2-(4-METHOXY-PHENYL)-ETHYL]-BENZAMIDE,
N-(4-Methoxyphenethyl)-4-chloro-2-methoxybenzamide,
4-chloro-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide,
CTK5G0662,
DTXSID30696117,
5595AH,
AB1483,
KM2656,
MFCD06658464,
ZINC67019760,
AKOS024260639,
AJ-116787,
AX8025939,
Benzamide,4-chloro-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-,
C17H18ClNO3,
4-CHLORO-2-METHOXY-N-[2- -ETHYL]-BENZAMIDE,
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| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.785g/mol |
| Monoisotopic Mass | 319.098g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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