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Home > Fluorides > 126247-33-4
126247-33-4 | Benzamide, N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxy-
CAS No: 126247-33-4 Catalog No: AG000SF4 MDL No:
Product Description
Catalog Number:
AG000SF4
Chemical Name:
Benzamide, N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxy-
CAS Number:
126247-33-4
Molecular Formula:
C19H29FN2O3
Molecular Weight:
352.4436
IUPAC Name:
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide
InChI:
InChI=1S/C19H29FN2O3/c1-4-22-10-6-8-15(22)13-21-19(23)16-11-14(7-5-9-20)12-17(24-2)18(16)25-3/h11-12,15H,4-10,13H2,1-3H3,(H,21,23)
InChI Key:
CRDCKDWZBHLFAS-UHFFFAOYSA-N
SMILES:
FCCCc1cc(OC)c(c(c1)C(=O)NC[C@@H]1CCCN1CC)OC
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.216g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.45g/mol
Monoisotopic Mass:
352.216g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| The role of QSAR in dopamine interactions. | Bioorganic & medicinal chemistry letters 20050415 |
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