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Home > Fluorides > 124929-08-4
124929-08-4 | Benzamide, N-[[1-[(4-fluorophenyl)methyl]-2-pyrrolidinyl]methyl]-5-(iodo-123I)-2,3-dimethoxy-, (R)- (9CI)
CAS No: 124929-08-4 Catalog No: AG000MWL MDL No:
Product Description
Catalog Number:
AG000MWL
Chemical Name:
Benzamide, N-[[1-[(4-fluorophenyl)methyl]-2-pyrrolidinyl]methyl]-5-(iodo-123I)-2,3-dimethoxy-, (R)- (9CI)
CAS Number:
124929-08-4
Molecular Formula:
C21H24FIN2O3
Molecular Weight:
498.3297
IUPAC Name:
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide
InChI:
InChI=1S/C21H24FIN2O3/c1-27-19-11-16(23)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-15(22)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)
InChI Key:
NTCPWJJOPLDDTG-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C(=O)NC[C@H]1CCCN1Cc1ccc(cc1)F)I
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.082g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
498.337g/mol
Monoisotopic Mass:
498.082g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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