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82935-27-1 | Benzamide,3-bromo-5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxy-
CAS No: 82935-27-1 Catalog No: AG00549L MDL No:
Product Description
Catalog Number:
AG00549L
Chemical Name:
Benzamide,3-bromo-5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxy-
CAS Number:
82935-27-1
Molecular Formula:
C16H22BrClN2O3
Molecular Weight:
405.7145
IUPAC Name:
3-bromo-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide
InChI:
InChI=1S/C16H22BrClN2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)
InChI Key:
MWGNFOKKFFBHLD-UHFFFAOYSA-N
SMILES:
CCN1CCCC1CNC(=O)c1c(OC)c(Cl)cc(c1OC)Br
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.05g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.717g/mol
Monoisotopic Mass:
404.05g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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