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Home > Fluorides > 1224048-09-2
1224048-09-2 | 2-PyrrolidinecarboxaMide, N-[[4-[(4,4-diMethylcyclohexyl)oxy]-5-fluoro-2-Methoxyphenyl]Methyl]-, (2S)-
CAS No: 1224048-09-2 Catalog No: AG001776 MDL No:
Product Description
Catalog Number:
AG001776
Chemical Name:
2-PyrrolidinecarboxaMide, N-[[4-[(4,4-diMethylcyclohexyl)oxy]-5-fluoro-2-Methoxyphenyl]Methyl]-, (2S)-
CAS Number:
1224048-09-2
Molecular Formula:
C21H31FN2O3
Molecular Weight:
378.4808
IUPAC Name:
(2S)-N-[[4-(4,4-dimethylcyclohexyl)oxy-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
InChI Key:
FGJOAGVKQWXJAD-KRWDZBQOSA-N
SMILES:
COc1cc(OC2CCC(CC2)(C)C)c(cc1CNC(=O)[C@@H]1CCCN1)F
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
378.232g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.488g/mol
Monoisotopic Mass:
378.232g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Orally active and brain permeable proline amides as highly selective 5HT2c agonists for the treatment of obesity. | Bioorganic & medicinal chemistry letters 20100401 |
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